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

C20H17ClFN7 — CID 53476219

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C20H17ClFN7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27)
InChIKeyRNGAYYHRLVVDTJ-UHFFFAOYSA-N
MW409.86 g/mol
LogP4.55
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 53476219) has the molecular formula C20H17ClFN7 and a molecular weight of 409.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID53476219
Molecular FormulaC20H17ClFN7
Molecular Weight409.86 g/mol
Exact Mass409.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C20H17ClFN7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27)
InChIKeyRNGAYYHRLVVDTJ-UHFFFAOYSA-N
XLogP4.55
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.86
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 53476219) is 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCCC4)ncn3)nccc2[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is RNGAYYHRLVVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 409.86 g/mol, XLogP of 4.55, 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-pyrrolidin-1-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 53476219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).