(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid

C81H106F6N18O11 — CID 167614323

IUPAC(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)O)cnc12.FC1(F)CNC1
InChIInChI=1S/C30H38F2N6O4.C27H35N5O5.C21H28F2N6O2.C3H5F2N/c1-6-7-11-29(3,12-10-19(2)39)37-26-25-23(13-21(16-33-25)27(40)38-17-30(31,32)18-38)35-28(36-26)34-15-20-8-9-22(41-4)14-24(20)42-5;1-6-7-11-27(3,12-10-17(2)33)32-24-23-21(13-19(16-28-23)25(34)35)30-26(31-24)29-15-18-8-9-20(36-4)14-22(18)37-5;1-4-5-7-20(3,8-6-13(2)30)28-17-16-15(26-19(24)27-17)9-14(10-25-16)18(31)29-11-21(22,23)12-29;4-3(5)1-6-2-3/h8-9,13-14,16H,6-7,10-12,15,17-18H2,1-5H3,(H2,34,35,36,37);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,34,35)(H2,29,30,31,32);9-10H,4-8,11-12H2,1-3H3,(H3,24,26,27,28);6H,1-2H2/t29-;27-;20-;/m111./s1
InChIKeyLNDIUIYFUOCDSK-PMYNPVDFSA-N
MW1621.84 g/mol
LogP14.21
Rot. Bonds37

About (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid

(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid (PubChem CID 167614323) has the molecular formula C81H106F6N18O11 and a molecular weight of 1621.84 g/mol. Its IUPAC name is (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid
PubChem CID167614323
Molecular FormulaC81H106F6N18O11
Molecular Weight1621.84 g/mol
Exact Mass1620.82
IUPAC Name(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid
SMILESCCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)O)cnc12.FC1(F)CNC1
InChIInChI=1S/C30H38F2N6O4.C27H35N5O5.C21H28F2N6O2.C3H5F2N/c1-6-7-11-29(3,12-10-19(2)39)37-26-25-23(13-21(16-33-25)27(40)38-17-30(31,32)18-38)35-28(36-26)34-15-20-8-9-22(41-4)14-24(20)42-5;1-6-7-11-27(3,12-10-17(2)33)32-24-23-21(13-19(16-28-23)25(34)35)30-26(31-24)29-15-18-8-9-20(36-4)14-22(18)37-5;1-4-5-7-20(3,8-6-13(2)30)28-17-16-15(26-19(24)27-17)9-14(10-25-16)18(31)29-11-21(22,23)12-29;4-3(5)1-6-2-3/h8-9,13-14,16H,6-7,10-12,15,17-18H2,1-5H3,(H2,34,35,36,37);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,34,35)(H2,29,30,31,32);9-10H,4-8,11-12H2,1-3H3,(H3,24,26,27,28);6H,1-2H2/t29-;27-;20-;/m111./s1
InChIKeyLNDIUIYFUOCDSK-PMYNPVDFSA-N
XLogP14.21
TPSA380.26 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001621.84
LogP ≤ 514.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-propan-2-ylpyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 162257149
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-(1-methylpyrrole-2-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 167632181
(5R)-5-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one
CID 158486047
tert-butyl 4-[[2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-4-methyloctanoate
CID 163945113
[2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(2R)-2-methyl-1-[(1-methylpyrazole-4-carbonyl)amino]hexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]boronic acid
CID 174057147
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293388
4-N-[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhexan-2-yl]-2-N-[(2,4-dimethoxyphenyl)methyl]pyrimido[5,4-d]pyrimidine-2,4-diamine
CID 175885835
N-[2-[[2-[(2,4-dimethoxyphenyl)methylamino]pteridin-4-yl]amino]-2-methylhexyl]acetamide
CID 134305708
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
N-[(2R)-2-[(2-amino-7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexyl]acetamide
CID 134319204
(4R)-4-butyl-2-(3,5-difluoro-2-pyridinyl)-4-methyl-5H-1,3-oxazole;(2R)-2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-fluoropyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol;2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 167611552

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The IUPAC name of (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid (CID 167614323) is (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid.
What is the SMILES notation for (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The canonical SMILES for (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid is CCCC[C@](C)(CCC(C)=O)Nc1nc(N)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)N3CC(F)(F)C3)cnc12.CCCC[C@](C)(CCC(C)=O)Nc1nc(NCc2ccc(OC)cc2OC)nc2cc(C(=O)O)cnc12.FC1(F)CNC1.
What is the InChIKey of (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid?
The InChIKey is LNDIUIYFUOCDSK-PMYNPVDFSA-N. The full InChI is InChI=1S/C30H38F2N6O4.C27H35N5O5.C21H28F2N6O2.C3H5F2N/c1-6-7-11-29(3,12-10-19(2)39)37-26-25-23(13-21(16-33-25)27(40)38-17-30(31,32)18-38)35-28(36-26)34-15-20-8-9-22(41-4)14-24(20)42-5;1-6-7-11-27(3,12-10-17(2)33)32-24-23-21(13-19(16-28-23)25(34)35)30-26(31-24)29-15-18-8-9-20(36-4)14-22(18)37-5;1-4-5-7-20(3,8-6-13(2)30)28-17-16-15(26-19(24)27-17)9-14(10-25-16)18(31)29-11-21(22,23)12-29;4-3(5)1-6-2-3/h8-9,13-14,16H,6-7,10-12,15,17-18H2,1-5H3,(H2,34,35,36,37);8-9,13-14,16H,6-7,10-12,15H2,1-5H3,(H,34,35)(H2,29,30,31,32);9-10H,4-8,11-12H2,1-3H3,(H3,24,26,27,28);6H,1-2H2/t29-;27-;20-;/m111./s1.
What are the key properties of (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid?
(5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid has a molecular weight of 1621.84 g/mol, XLogP of 14.21, 37 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-amino-7-(3,3-difluoroazetidine-1-carbonyl)pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;3,3-difluoroazetidine;(5R)-5-[[7-(3,3-difluoroazetidine-1-carbonyl)-2-[(2,4-dimethoxyphenyl)methylamino]pyrido[3,2-d]pyrimidin-4-yl]amino]-5-methylnonan-2-one;2-[(2,4-dimethoxyphenyl)methylamino]-4-[[(5R)-5-methyl-2-oxononan-5-yl]amino]pyrido[3,2-d]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167614323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).