4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one

C94H111F12N31O20S — CID 159690695

IUPAC4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESCc1nc2c([nH]1)CN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)CC2.Cn1cnc2c1CCN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)C2.Nc1ccn([C@@H]2O[C@H](CN3CCc4nc[nH]c4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4occc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4ocnc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4sccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/2C16H20F2N6O3.C16H18F2N4O4.C16H18F2N4O3S.C15H18F2N6O3.C15H17F2N5O4/c1-22-8-20-9-6-23(4-2-10(9)22)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)21-15(24)26;1-8-20-9-2-4-23(6-10(9)21-8)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)22-15(24)26;17-16(18)13(23)11(8-21-4-1-10-9(7-21)3-6-25-10)26-14(16)22-5-2-12(19)20-15(22)24;17-16(18)13(23)10(8-21-4-1-11-9(7-21)3-6-26-11)25-14(16)22-5-2-12(19)20-15(22)24;16-15(17)12(24)10(6-22-3-1-8-9(5-22)20-7-19-8)26-13(15)23-4-2-11(18)21-14(23)25;16-15(17)12(23)10(6-21-3-1-9-8(5-21)19-7-25-9)26-13(15)22-4-2-11(18)20-14(22)24/h3,5,8,11,13-14,25H,2,4,6-7H2,1H3,(H2,19,21,26);3,5,11,13-14,25H,2,4,6-7H2,1H3,(H,20,21)(H2,19,22,26);2-3,5-6,11,13-14,23H,1,4,7-8H2,(H2,19,20,24);2-3,5-6,10,13-14,23H,1,4,7-8H2,(H2,19,20,24);2,4,7,10,12-13,24H,1,3,5-6H2,(H,19,20)(H2,18,21,25);2,4,7,10,12-13,23H,1,3,5-6H2,(H2,18,20,24)/t3*11-,13-,14-;10-,13-,14-;2*10-,12-,13-/m111111/s1
InChIKeyMWJIRLBRKWVFNZ-WIXMHWAVSA-N
MW2255.16 g/mol
LogP-0.20
Rot. Bonds18

About 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (PubChem CID 159690695) has the molecular formula C94H111F12N31O20S and a molecular weight of 2255.16 g/mol. Its IUPAC name is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
PubChem CID159690695
Molecular FormulaC94H111F12N31O20S
Molecular Weight2255.16 g/mol
Exact Mass2253.82
IUPAC Name4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
SMILESCc1nc2c([nH]1)CN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)CC2.Cn1cnc2c1CCN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)C2.Nc1ccn([C@@H]2O[C@H](CN3CCc4nc[nH]c4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4occc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4ocnc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4sccc4C3)[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/2C16H20F2N6O3.C16H18F2N4O4.C16H18F2N4O3S.C15H18F2N6O3.C15H17F2N5O4/c1-22-8-20-9-6-23(4-2-10(9)22)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)21-15(24)26;1-8-20-9-2-4-23(6-10(9)21-8)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)22-15(24)26;17-16(18)13(23)11(8-21-4-1-10-9(7-21)3-6-25-10)26-14(16)22-5-2-12(19)20-15(22)24;17-16(18)13(23)10(8-21-4-1-11-9(7-21)3-6-26-11)25-14(16)22-5-2-12(19)20-15(22)24;16-15(17)12(24)10(6-22-3-1-8-9(5-22)20-7-19-8)26-13(15)23-4-2-11(18)21-14(23)25;16-15(17)12(23)10(6-21-3-1-9-8(5-21)19-7-25-9)26-13(15)22-4-2-11(18)20-14(22)24/h3,5,8,11,13-14,25H,2,4,6-7H2,1H3,(H2,19,21,26);3,5,11,13-14,25H,2,4,6-7H2,1H3,(H,20,21)(H2,19,22,26);2-3,5-6,11,13-14,23H,1,4,7-8H2,(H2,19,20,24);2-3,5-6,10,13-14,23H,1,4,7-8H2,(H2,19,20,24);2,4,7,10,12-13,24H,1,3,5-6H2,(H,19,20)(H2,18,21,25);2,4,7,10,12-13,23H,1,3,5-6H2,(H2,18,20,24)/t3*11-,13-,14-;10-,13-,14-;2*10-,12-,13-/m111111/s1
InChIKeyMWJIRLBRKWVFNZ-WIXMHWAVSA-N
XLogP-0.20
TPSA676.01 Ų
H-Bond Donors14
H-Bond Acceptors50
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002255.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1050

Analyze 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

carbanide;ethane;1-methyl-5-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-furo[3,2-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine;5-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine;octakis(yttrium)
CID 157332943

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one (CID 159690695) is 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is Cc1nc2c([nH]1)CN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)CC2.Cn1cnc2c1CCN(C[C@H]1O[C@@H](n3ccc(N)nc3=O)C(F)(F)[C@@H]1O)C2.Nc1ccn([C@@H]2O[C@H](CN3CCc4nc[nH]c4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4occc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4ocnc4C3)[C@@H](O)C2(F)F)c(=O)n1.Nc1ccn([C@@H]2O[C@H](CN3CCc4sccc4C3)[C@@H](O)C2(F)F)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
The InChIKey is MWJIRLBRKWVFNZ-WIXMHWAVSA-N. The full InChI is InChI=1S/2C16H20F2N6O3.C16H18F2N4O4.C16H18F2N4O3S.C15H18F2N6O3.C15H17F2N5O4/c1-22-8-20-9-6-23(4-2-10(9)22)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)21-15(24)26;1-8-20-9-2-4-23(6-10(9)21-8)7-11-13(25)16(17,18)14(27-11)24-5-3-12(19)22-15(24)26;17-16(18)13(23)11(8-21-4-1-10-9(7-21)3-6-25-10)26-14(16)22-5-2-12(19)20-15(22)24;17-16(18)13(23)10(8-21-4-1-11-9(7-21)3-6-26-11)25-14(16)22-5-2-12(19)20-15(22)24;16-15(17)12(24)10(6-22-3-1-8-9(5-22)20-7-19-8)26-13(15)23-4-2-11(18)21-14(23)25;16-15(17)12(23)10(6-21-3-1-9-8(5-21)19-7-25-9)26-13(15)22-4-2-11(18)20-14(22)24/h3,5,8,11,13-14,25H,2,4,6-7H2,1H3,(H2,19,21,26);3,5,11,13-14,25H,2,4,6-7H2,1H3,(H,20,21)(H2,19,22,26);2-3,5-6,11,13-14,23H,1,4,7-8H2,(H2,19,20,24);2-3,5-6,10,13-14,23H,1,4,7-8H2,(H2,19,20,24);2,4,7,10,12-13,24H,1,3,5-6H2,(H,19,20)(H2,18,21,25);2,4,7,10,12-13,23H,1,3,5-6H2,(H2,18,20,24)/t3*11-,13-,14-;10-,13-,14-;2*10-,12-,13-/m111111/s1.
What are the key properties of 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one has a molecular weight of 2255.16 g/mol, XLogP of -0.20, 18 rotatable bonds, 14 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-[(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-ylmethyl)oxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-furo[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one;4-amino-1-[(2R,4R,5R)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 159690695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).