6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide

C18H21N5O2 — CID 171820058

IUPAC6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(C)C
InChIInChI=1S/C18H21N5O2/c1-8(2)23-7-21-15-13(12-9(3)5-6-11(24)10(12)4)14(19)16(17(20)25)22-18(15)23/h5-8,24H,19H2,1-4H3,(H2,20,25)
InChIKeyMJBNOEPYWBHHIT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.68
Rot. Bonds3

About 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide

6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 171820058) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide
PubChem CID171820058
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(C)C
InChIInChI=1S/C18H21N5O2/c1-8(2)23-7-21-15-13(12-9(3)5-6-11(24)10(12)4)14(19)16(17(20)25)22-18(15)23/h5-8,24H,19H2,1-4H3,(H2,20,25)
InChIKeyMJBNOEPYWBHHIT-UHFFFAOYSA-N
XLogP2.68
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-methylimidazo[4,5-b]pyridine-5-carboxamide
CID 171820110
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-(1-hydroxyethenyl)pyridine-2-carboxamide
CID 170589414
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-propan-2-ylpyrrolo[2,3-b]pyrazine-7-carboxamide
CID 156869425
3-amino-6-(2-amino-4-pyridinyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 177283434
3-cyano-4-(3-hydroxy-2,6-dimethylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 171820241
7-amino-6-(3-hydroxy-2,6-dimethylphenyl)-2,3-dimethylimidazo[1,2-a]pyridine-8-carboxamide
CID 177042782
4-[6-(2-hydroxyethylamino)-9-propan-2-ylpurin-2-yl]benzamide
CID 117080355
5-amino-4-(3-hydroxy-2-methylphenyl)-1,3-dimethylpyrazolo[3,4-b]pyridine-6-carboxamide;formamide
CID 171820136
7-amino-2-chloro-6-(3-hydroxy-2,6-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
CID 177042704
6-amino-3-(difluoromethyl)-7-(3-methoxy-2,6-dimethylphenyl)benzimidazole-5-carboxamide
CID 171820267
3-amino-6-(ethylamino)-4-(3-hydroxy-2,6-dimethylphenyl)-5-(2-oxoethanimidoyl)pyridine-2-carboxamide;N-methylmethanamine
CID 171820277
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide (CID 171820058) is 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide is Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2c1ncn2C(C)C.
What is the InChIKey of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is MJBNOEPYWBHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-8(2)23-7-21-15-13(12-9(3)5-6-11(24)10(12)4)14(19)16(17(20)25)22-18(15)23/h5-8,24H,19H2,1-4H3,(H2,20,25).
What are the key properties of 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide?
6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-hydroxy-2,6-dimethylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 171820058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).