2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine

C17H12ClFN6O — CID 67383076

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)ncn1
InChIInChI=1S/C17H12ClFN6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
InChIKeyFDALAEJEINIPRZ-UHFFFAOYSA-N
MW370.78 g/mol
LogP3.96
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine

2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 67383076) has the molecular formula C17H12ClFN6O and a molecular weight of 370.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID67383076
Molecular FormulaC17H12ClFN6O
Molecular Weight370.78 g/mol
Exact Mass370.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1cc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)ncn1
InChIInChI=1S/C17H12ClFN6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
InChIKeyFDALAEJEINIPRZ-UHFFFAOYSA-N
XLogP3.96
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 67383076) is 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is COc1cc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)ncn1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is FDALAEJEINIPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O/c1-26-13-7-12(21-8-22-13)24-17-15-11(5-6-20-17)23-16(25-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 370.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(6-methoxypyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67383076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).