2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide

C21H18N8O2 — CID 57474743

IUPAC2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
SMILESCC(C)c1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cnc4nc[nH]c4c3)nc21
InChIInChI=1S/C21H18N8O2/c1-10(2)12-5-3-4-6-14(12)29-20-16(27-21(29)31)15(17(22)30)26-18(28-20)11-7-13-19(23-8-11)25-9-24-13/h3-10H,1-2H3,(H2,22,30)(H,27,31)(H,23,24,25)
InChIKeyMOHLKOBIHZUNKX-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.27
Rot. Bonds4

About 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide

2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide (PubChem CID 57474743) has the molecular formula C21H18N8O2 and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
PubChem CID57474743
Molecular FormulaC21H18N8O2
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
SMILESCC(C)c1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cnc4nc[nH]c4c3)nc21
InChIInChI=1S/C21H18N8O2/c1-10(2)12-5-3-4-6-14(12)29-20-16(27-21(29)31)15(17(22)30)26-18(28-20)11-7-13-19(23-8-11)25-9-24-13/h3-10H,1-2H3,(H2,22,30)(H,27,31)(H,23,24,25)
InChIKeyMOHLKOBIHZUNKX-UHFFFAOYSA-N
XLogP2.27
TPSA148.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide
CID 57474599
9-(2-fluorophenyl)-8-oxo-2-propan-2-yl-7H-purine-6-carboxamide
CID 7519646
2-(5-chloro-3-pyridinyl)-8-oxo-9-[2-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 24936980
2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
CID 57474705
9-(2-methoxyphenyl)-2-(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196971
2-(3-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196943
6-amino-2-[4-(1H-imidazol-2-yl)phenyl]-9-(2-propan-2-ylphenyl)-7H-purin-8-one
CID 141403068
9-(2-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 16822566
9-(2,3-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599574
2,9-bis(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 20960109
2-(3,4-dimethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 23603281
9-(2,3-dichlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24936459

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The IUPAC name of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide (CID 57474743) is 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The canonical SMILES for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide is CC(C)c1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cnc4nc[nH]c4c3)nc21.
What is the InChIKey of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide?
The InChIKey is MOHLKOBIHZUNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O2/c1-10(2)12-5-3-4-6-14(12)29-20-16(27-21(29)31)15(17(22)30)26-18(28-20)11-7-13-19(23-8-11)25-9-24-13/h3-10H,1-2H3,(H2,22,30)(H,27,31)(H,23,24,25).
What are the key properties of 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide?
2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazo[4,5-b]pyridin-6-yl)-8-oxo-9-(2-propan-2-ylphenyl)-7H-purine-6-carboxamide is sourced from PubChem (CID 57474743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).