N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

C20H15ClN8 — CID 90403819

IUPACN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1cnc2nc(-c3cc(Nc4ccc(-n5cncn5)nc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C20H15ClN8/c1-12-6-17-20(24-8-12)28-19(27-17)15-7-13(2-4-16(15)21)26-14-3-5-18(23-9-14)29-11-22-10-25-29/h2-11,26H,1H3,(H,24,27,28)
InChIKeyVODCDXNXIRKACR-UHFFFAOYSA-N
MW402.85 g/mol
LogP4.31
Rot. Bonds4

About N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 90403819) has the molecular formula C20H15ClN8 and a molecular weight of 402.85 g/mol. Its IUPAC name is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
PubChem CID90403819
Molecular FormulaC20H15ClN8
Molecular Weight402.85 g/mol
Exact Mass402.11
IUPAC NameN-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
SMILESCc1cnc2nc(-c3cc(Nc4ccc(-n5cncn5)nc4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C20H15ClN8/c1-12-6-17-20(24-8-12)28-19(27-17)15-7-13(2-4-16(15)21)26-14-3-5-18(23-9-14)29-11-22-10-25-29/h2-11,26H,1H3,(H,24,27,28)
InChIKeyVODCDXNXIRKACR-UHFFFAOYSA-N
XLogP4.31
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 90403274
1-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methylurea
CID 90403490
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]acetamide
CID 90403629
propan-2-yl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90404079
2-amino-N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methylpropanamide
CID 90403020
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 90403510
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90403529
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-phenylacetamide
CID 90403734
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 90403536
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 90403576
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-5-fluorofuran-2-carboxamide
CID 85471839
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-2-[4-(dimethylamino)phenyl]acetamide
CID 85471704

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 90403819) is N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is Cc1cnc2nc(-c3cc(Nc4ccc(-n5cncn5)nc4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
The InChIKey is VODCDXNXIRKACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN8/c1-12-6-17-20(24-8-12)28-19(27-17)15-7-13(2-4-16(15)21)26-14-3-5-18(23-9-14)29-11-22-10-25-29/h2-11,26H,1H3,(H,24,27,28).
What are the key properties of N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine?
N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 402.85 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 90403819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).