methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate

C167H242N48O41 — CID 159485210

IUPACmethane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
SMILESC.CN1C(=O)CC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1C(=O)CCC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)CC1=O.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O
InChIInChI=1S/3C28H40N8O7.C28H42N8O6.2C27H38N8O7.CH4/c1-34-10-9-16(26(34)40)13-42-28(41)35-11-7-15(8-12-35)3-2-4-18-32-23(29)19-24(33-18)36(14-30-19)27-21(38)20(37)22(43-27)25(39)31-17-5-6-17;1-34-12-16(11-19(34)37)13-42-28(41)35-9-7-15(8-10-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-17-5-6-17;1-34-17(7-8-19(34)37)13-42-28(41)35-11-9-15(10-12-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-16-5-6-16;1-34-10-7-17(13-34)14-41-28(40)35-11-8-16(9-12-35)3-2-4-19-32-24(29)20-25(33-19)36(15-30-20)27-22(38)21(37)23(42-27)26(39)31-18-5-6-18;1-33-11-15(25(33)39)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-22(28)18-23(32-17)35(13-29-18)26-20(37)19(36)21(42-26)24(38)30-16-5-6-16;1-33-16(11-18(33)36)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-23(28)19-24(32-17)35(13-29-19)26-21(38)20(37)22(42-26)25(39)30-15-5-6-15;/h14-17,20-22,27,37-38H,2-13H2,1H3,(H,31,39)(H2,29,32,33);2*14-17,21-23,27,38-39H,2-13H2,1H3,(H,31,40)(H2,29,32,33);15-18,21-23,27,37-38H,2-14H2,1H3,(H,31,39)(H2,29,32,33);13-16,19-21,26,36-37H,2-12H2,1H3,(H,30,38)(H2,28,31,32);13-16,20-22,26,37-38H,2-12H2,1H3,(H,30,39)(H2,28,31,32);1H4/t16?,20?,21-,22-,27+;16?,21?,22-,23-,27+;2*17?,21?,22-,23-,27+;15?,19?,20-,21-,26+;16?,20?,21-,22-,26+;/m000000./s1
InChIKeyLXMLVLMNWRBPFX-TXWYDFNKSA-N
MW3578.07 g/mol
LogP0.35
Rot. Bonds54

About methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate

methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate (PubChem CID 159485210) has the molecular formula C167H242N48O41 and a molecular weight of 3578.07 g/mol. Its IUPAC name is methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
PubChem CID159485210
Molecular FormulaC167H242N48O41
Molecular Weight3578.07 g/mol
Exact Mass3575.83
IUPAC Namemethane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
SMILESC.CN1C(=O)CC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1C(=O)CCC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)CC1=O.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O
InChIInChI=1S/3C28H40N8O7.C28H42N8O6.2C27H38N8O7.CH4/c1-34-10-9-16(26(34)40)13-42-28(41)35-11-7-15(8-12-35)3-2-4-18-32-23(29)19-24(33-18)36(14-30-19)27-21(38)20(37)22(43-27)25(39)31-17-5-6-17;1-34-12-16(11-19(34)37)13-42-28(41)35-9-7-15(8-10-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-17-5-6-17;1-34-17(7-8-19(34)37)13-42-28(41)35-11-9-15(10-12-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-16-5-6-16;1-34-10-7-17(13-34)14-41-28(40)35-11-8-16(9-12-35)3-2-4-19-32-24(29)20-25(33-19)36(15-30-20)27-22(38)21(37)23(42-27)26(39)31-18-5-6-18;1-33-11-15(25(33)39)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-22(28)18-23(32-17)35(13-29-18)26-20(37)19(36)21(42-26)24(38)30-16-5-6-16;1-33-16(11-18(33)36)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-23(28)19-24(32-17)35(13-29-19)26-21(38)20(37)22(42-26)25(39)30-15-5-6-15;/h14-17,20-22,27,37-38H,2-13H2,1H3,(H,31,39)(H2,29,32,33);2*14-17,21-23,27,38-39H,2-13H2,1H3,(H,31,40)(H2,29,32,33);15-18,21-23,27,37-38H,2-14H2,1H3,(H,31,39)(H2,29,32,33);13-16,19-21,26,36-37H,2-12H2,1H3,(H,30,38)(H2,28,31,32);13-16,20-22,26,37-38H,2-12H2,1H3,(H,30,39)(H2,28,31,32);1H4/t16?,20?,21-,22-,27+;16?,21?,22-,23-,27+;2*17?,21?,22-,23-,27+;15?,19?,20-,21-,26+;16?,20?,21-,22-,26+;/m000000./s1
InChIKeyLXMLVLMNWRBPFX-TXWYDFNKSA-N
XLogP0.35
TPSA1172.49 Ų
H-Bond Donors24
H-Bond Acceptors72
Rotatable Bonds54
Heavy Atoms256
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003578.07
LogP ≤ 50.35
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1072

Analyze methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 70915100
(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 70915449
(1-methyl-2-oxoazetidin-3-yl) 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 70915077
(5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 70915087
ethane;oxolan-3-ylmethyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 123747309
oxolan-3-ylmethyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092439
(3-oxocyclobutyl) 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092447
pyrrolidin-3-ylmethyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 70915089
pyrrolidin-3-ylmethyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092453
cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane
CID 91352228
ethane;(3-oxocyclopentyl)methyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 123740104
(2-oxopyrrolidin-3-yl) 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 70915069

Frequently Asked Questions

What is the IUPAC name of methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate?
The IUPAC name of methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate (CID 159485210) is methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate.
What is the SMILES notation for methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate?
The canonical SMILES for methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate is C.CN1C(=O)CC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1C(=O)CCC1COC(=O)N1CCC(CCCc2nc(N)c3ncn([C@@H]4O[C@H](C(=O)NC5CC5)C(O)[C@@H]4O)c3n2)CC1.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O.CN1CC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)CC1=O.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1.CN1CCC(COC(=O)N2CCC(CCCc3nc(N)c4ncn([C@@H]5O[C@H](C(=O)NC6CC6)C(O)[C@@H]5O)c4n3)CC2)C1=O.
What is the InChIKey of methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate?
The InChIKey is LXMLVLMNWRBPFX-TXWYDFNKSA-N. The full InChI is InChI=1S/3C28H40N8O7.C28H42N8O6.2C27H38N8O7.CH4/c1-34-10-9-16(26(34)40)13-42-28(41)35-11-7-15(8-12-35)3-2-4-18-32-23(29)19-24(33-18)36(14-30-19)27-21(38)20(37)22(43-27)25(39)31-17-5-6-17;1-34-12-16(11-19(34)37)13-42-28(41)35-9-7-15(8-10-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-17-5-6-17;1-34-17(7-8-19(34)37)13-42-28(41)35-11-9-15(10-12-35)3-2-4-18-32-24(29)20-25(33-18)36(14-30-20)27-22(39)21(38)23(43-27)26(40)31-16-5-6-16;1-34-10-7-17(13-34)14-41-28(40)35-11-8-16(9-12-35)3-2-4-19-32-24(29)20-25(33-19)36(15-30-20)27-22(38)21(37)23(42-27)26(39)31-18-5-6-18;1-33-11-15(25(33)39)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-22(28)18-23(32-17)35(13-29-18)26-20(37)19(36)21(42-26)24(38)30-16-5-6-16;1-33-16(11-18(33)36)12-41-27(40)34-9-7-14(8-10-34)3-2-4-17-31-23(28)19-24(32-17)35(13-29-19)26-21(38)20(37)22(42-26)25(39)30-15-5-6-15;/h14-17,20-22,27,37-38H,2-13H2,1H3,(H,31,39)(H2,29,32,33);2*14-17,21-23,27,38-39H,2-13H2,1H3,(H,31,40)(H2,29,32,33);15-18,21-23,27,37-38H,2-14H2,1H3,(H,31,39)(H2,29,32,33);13-16,19-21,26,36-37H,2-12H2,1H3,(H,30,38)(H2,28,31,32);13-16,20-22,26,37-38H,2-12H2,1H3,(H,30,39)(H2,28,31,32);1H4/t16?,20?,21-,22-,27+;16?,21?,22-,23-,27+;2*17?,21?,22-,23-,27+;15?,19?,20-,21-,26+;16?,20?,21-,22-,26+;/m000000./s1.
What are the key properties of methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate?
methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate has a molecular weight of 3578.07 g/mol, XLogP of 0.35, 54 rotatable bonds, 24 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(1-methyl-2-oxoazetidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-4-oxoazetidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-2-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-2-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;(1-methylpyrrolidin-3-yl)methyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 159485210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).