[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

C146H182FN45O9S — CID 162276125

IUPAC[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESC=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.CCC(=O)Nc1nonc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(C4(C)CCCC4)on3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(-c4ncn[nH]4)c3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C26H30FN7O.C26H35N7O2.C25H29N9O.C24H30N6O.C23H29N7OS.C22H29N9O3/c1-16-8-11-33-21(12-16)28-23(24(33)27)26(35)32-9-5-4-6-20(32)19-13-22-29-25(18(3)15-34(22)30-19)31-10-7-17(2)14-31;1-17-15-33-23(28-24(17)31-12-8-18(27)16-31)14-19(29-33)21-7-3-6-11-32(21)25(34)20-13-22(35-30-20)26(2)9-4-5-10-26;1-16-13-34-22(29-24(16)32-10-8-19(26)14-32)12-20(31-34)21-7-2-3-9-33(21)25(35)18-6-4-5-17(11-18)23-27-15-28-30-23;1-16-7-3-4-8-19(16)24(31)29-11-6-5-9-21(29)20-13-22-26-23(17(2)14-30(22)27-20)28-12-10-18(25)15-28;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-3-18(32)25-20-19(27-34-28-20)22(33)30-8-5-4-6-16(30)15-10-17-24-21(13(2)11-31(17)26-15)29-9-7-14(23)12-29/h8,11-13,15,17,20H,4-7,9-10,14H2,1-3H3;13-15,18,21H,3-12,16,27H2,1-2H3;4-6,11-13,15,19,21H,2-3,7-10,14,26H2,1H3,(H,27,28,30);3-4,7-8,13-14,18,21H,5-6,9-12,15,25H2,1-2H3;6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;10-11,14,16H,3-9,12,23H2,1-2H3,(H,25,28,32)/t17-,20-;18-,21-;19-,21-;18-,21-;16-,18-;14-,16-/m000000/s1
InChIKeyDBWZMGVHMDAPEB-QFVMXWOXSA-N
MW2762.43 g/mol
LogP18.69
Rot. Bonds23

About [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone

[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 162276125) has the molecular formula C146H182FN45O9S and a molecular weight of 2762.43 g/mol. Its IUPAC name is [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID162276125
Molecular FormulaC146H182FN45O9S
Molecular Weight2762.43 g/mol
Exact Mass2760.49
IUPAC Name[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESC=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.CCC(=O)Nc1nonc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(C4(C)CCCC4)on3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(-c4ncn[nH]4)c3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C26H30FN7O.C26H35N7O2.C25H29N9O.C24H30N6O.C23H29N7OS.C22H29N9O3/c1-16-8-11-33-21(12-16)28-23(24(33)27)26(35)32-9-5-4-6-20(32)19-13-22-29-25(18(3)15-34(22)30-19)31-10-7-17(2)14-31;1-17-15-33-23(28-24(17)31-12-8-18(27)16-31)14-19(29-33)21-7-3-6-11-32(21)25(34)20-13-22(35-30-20)26(2)9-4-5-10-26;1-16-13-34-22(29-24(16)32-10-8-19(26)14-32)12-20(31-34)21-7-2-3-9-33(21)25(35)18-6-4-5-17(11-18)23-27-15-28-30-23;1-16-7-3-4-8-19(16)24(31)29-11-6-5-9-21(29)20-13-22-26-23(17(2)14-30(22)27-20)28-12-10-18(25)15-28;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-3-18(32)25-20-19(27-34-28-20)22(33)30-8-5-4-6-16(30)15-10-17-24-21(13(2)11-31(17)26-15)29-9-7-14(23)12-29/h8,11-13,15,17,20H,4-7,9-10,14H2,1-3H3;13-15,18,21H,3-12,16,27H2,1-2H3;4-6,11-13,15,19,21H,2-3,7-10,14,26H2,1H3,(H,27,28,30);3-4,7-8,13-14,18,21H,5-6,9-12,15,25H2,1-2H3;6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;10-11,14,16H,3-9,12,23H2,1-2H3,(H,25,28,32)/t17-,20-;18-,21-;19-,21-;18-,21-;16-,18-;14-,16-/m000000/s1
InChIKeyDBWZMGVHMDAPEB-QFVMXWOXSA-N
XLogP18.69
TPSA631.48 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds23
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002762.43
LogP ≤ 518.69
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone (CID 162276125) is [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is C=C(N)c1ccc(C(=O)N2CCCC[C@H]2c2cc3nc(N4CC[C@H](N)C4)c(C)cn3n2)s1.CCC(=O)Nc1nonc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](N)C3)c(C)cn2n1.Cc1ccn2c(F)c(C(=O)N3CCCC[C@H]3c3cc4nc(N5CC[C@H](C)C5)c(C)cn4n3)nc2c1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(C4(C)CCCC4)on3)cc2nc1N1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cccc(-c4ncn[nH]4)c3)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is DBWZMGVHMDAPEB-QFVMXWOXSA-N. The full InChI is InChI=1S/C26H30FN7O.C26H35N7O2.C25H29N9O.C24H30N6O.C23H29N7OS.C22H29N9O3/c1-16-8-11-33-21(12-16)28-23(24(33)27)26(35)32-9-5-4-6-20(32)19-13-22-29-25(18(3)15-34(22)30-19)31-10-7-17(2)14-31;1-17-15-33-23(28-24(17)31-12-8-18(27)16-31)14-19(29-33)21-7-3-6-11-32(21)25(34)20-13-22(35-30-20)26(2)9-4-5-10-26;1-16-13-34-22(29-24(16)32-10-8-19(26)14-32)12-20(31-34)21-7-2-3-9-33(21)25(35)18-6-4-5-17(11-18)23-27-15-28-30-23;1-16-7-3-4-8-19(16)24(31)29-11-6-5-9-21(29)20-13-22-26-23(17(2)14-30(22)27-20)28-12-10-18(25)15-28;1-14-12-30-21(26-22(14)28-10-8-16(25)13-28)11-17(27-30)18-5-3-4-9-29(18)23(31)20-7-6-19(32-20)15(2)24;1-3-18(32)25-20-19(27-34-28-20)22(33)30-8-5-4-6-16(30)15-10-17-24-21(13(2)11-31(17)26-15)29-9-7-14(23)12-29/h8,11-13,15,17,20H,4-7,9-10,14H2,1-3H3;13-15,18,21H,3-12,16,27H2,1-2H3;4-6,11-13,15,19,21H,2-3,7-10,14,26H2,1H3,(H,27,28,30);3-4,7-8,13-14,18,21H,5-6,9-12,15,25H2,1-2H3;6-7,11-12,16,18H,2-5,8-10,13,24-25H2,1H3;10-11,14,16H,3-9,12,23H2,1-2H3,(H,25,28,32)/t17-,20-;18-,21-;19-,21-;18-,21-;16-,18-;14-,16-/m000000/s1.
What are the key properties of [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone?
[5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 2762.43 g/mol, XLogP of 18.69, 23 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-aminoethenyl)thiophen-2-yl]-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;N-[4-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-1,2,5-oxadiazol-3-yl]propanamide;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(1-methylcyclopentyl)-1,2-oxazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[3-(1H-1,2,4-triazol-5-yl)phenyl]methanone;(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 162276125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).