[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol

C18H13ClFN5O — CID 67383021

IUPAC[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol
SMILESOCc1ccc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)nc1
InChIInChI=1S/C18H13ClFN5O/c19-11-2-1-3-12(20)15(11)17-23-13-6-7-21-18(16(13)25-17)24-14-5-4-10(9-26)8-22-14/h1-8,26H,9H2,(H,23,25)(H,21,22,24)
InChIKeyBWKYNXKPJKFXIW-UHFFFAOYSA-N
MW369.79 g/mol
LogP4.05
Rot. Bonds4

About [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol

[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol (PubChem CID 67383021) has the molecular formula C18H13ClFN5O and a molecular weight of 369.79 g/mol. Its IUPAC name is [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol
PubChem CID67383021
Molecular FormulaC18H13ClFN5O
Molecular Weight369.79 g/mol
Exact Mass369.08
IUPAC Name[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol
SMILESOCc1ccc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)nc1
InChIInChI=1S/C18H13ClFN5O/c19-11-2-1-3-12(20)15(11)17-23-13-6-7-21-18(16(13)25-17)24-14-5-4-10(9-26)8-22-14/h1-8,26H,9H2,(H,23,25)(H,21,22,24)
InChIKeyBWKYNXKPJKFXIW-UHFFFAOYSA-N
XLogP4.05
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol?
The IUPAC name of [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol (CID 67383021) is [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol is OCc1ccc(Nc2nccc3[nH]c(-c4c(F)cccc4Cl)nc23)nc1.
What is the InChIKey of [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol?
The InChIKey is BWKYNXKPJKFXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O/c19-11-2-1-3-12(20)15(11)17-23-13-6-7-21-18(16(13)25-17)24-14-5-4-10(9-26)8-22-14/h1-8,26H,9H2,(H,23,25)(H,21,22,24).
What are the key properties of [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol?
[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol has a molecular weight of 369.79 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 67383021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).