4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

C24H25N7O2 — CID 134214670

IUPAC4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5cccnc5)nc43)CC2)c1
InChIInChI=1S/C24H25N7O2/c1-33-19-6-2-5-17(12-19)28-24(32)15-7-9-18(10-8-15)31-14-27-20-21(25)29-22(30-23(20)31)16-4-3-11-26-13-16/h2-6,11-15,18H,7-10H2,1H3,(H,28,32)(H2,25,29,30)
InChIKeyHFPREMCKJWUJQY-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.85
Rot. Bonds5

About 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide

4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 134214670) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID134214670
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5cccnc5)nc43)CC2)c1
InChIInChI=1S/C24H25N7O2/c1-33-19-6-2-5-17(12-19)28-24(32)15-7-9-18(10-8-15)31-14-27-20-21(25)29-22(30-23(20)31)16-4-3-11-26-13-16/h2-6,11-15,18H,7-10H2,1H3,(H,28,32)(H2,25,29,30)
InChIKeyHFPREMCKJWUJQY-UHFFFAOYSA-N
XLogP3.85
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Gsk-269962A
CID 16095342
N-(1-(8-((3-methyl-4-((1-methyl-1H-benzo(d)imidazol-5-yl)oxy)phenyl)amino)pyrimido(5,4-d)pyrimidin-2-yl)piperidin-4-yl)acrylamide
CID 160283094
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-yl)benzamide
CID 16099846
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-[(dimethylamino)methyl]benzamide
CID 16099847
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(aminomethyl)benzamide
CID 16099860
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 16099861
2,4-Disubstituted Pyrimidine 2f
CID 5329419
N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)benzamide
CID 11339681
N-(3-((2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)oxy)phenyl)-4-(dimethylamino)benzamide
CID 16099859
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10d
CID 25138154
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide (CID 134214670) is 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is COc1cccc(NC(=O)C2CCC(n3cnc4c(N)nc(-c5cccnc5)nc43)CC2)c1.
What is the InChIKey of 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is HFPREMCKJWUJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-33-19-6-2-5-17(12-19)28-24(32)15-7-9-18(10-8-15)31-14-27-20-21(25)29-22(30-23(20)31)16-4-3-11-26-13-16/h2-6,11-15,18H,7-10H2,1H3,(H,28,32)(H2,25,29,30).
What are the key properties of 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide?
4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-pyridin-3-ylpurin-9-yl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134214670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).