2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile

C18H10Cl2N6 — CID 67383227

IUPAC2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)c1
InChIInChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyMWEQLWHNRFPCEW-UHFFFAOYSA-N
MW381.23 g/mol
LogP4.94
Rot. Bonds3

About 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile

2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile (PubChem CID 67383227) has the molecular formula C18H10Cl2N6 and a molecular weight of 381.23 g/mol. Its IUPAC name is 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile
PubChem CID67383227
Molecular FormulaC18H10Cl2N6
Molecular Weight381.23 g/mol
Exact Mass380.03
IUPAC Name2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)c1
InChIInChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25)
InChIKeyMWEQLWHNRFPCEW-UHFFFAOYSA-N
XLogP4.94
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.23
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile (CID 67383227) is 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile is N#Cc1ccnc(Nc2nccc3[nH]c(-c4c(Cl)cccc4Cl)nc23)c1.
What is the InChIKey of 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile?
The InChIKey is MWEQLWHNRFPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2N6/c19-11-2-1-3-12(20)15(11)17-24-13-5-7-23-18(16(13)26-17)25-14-8-10(9-21)4-6-22-14/h1-8H,(H,24,26)(H,22,23,25).
What are the key properties of 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile?
2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile has a molecular weight of 381.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 67383227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).