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

C21H19ClFN7 — CID 141309918

IUPAC2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3ccc(N4CCNCC4)cn3)nccc2[nH]1
InChIInChI=1S/C21H19ClFN7/c22-14-2-1-3-15(23)18(14)20-27-16-6-7-25-21(19(16)29-20)28-17-5-4-13(12-26-17)30-10-8-24-9-11-30/h1-7,12,24H,8-11H2,(H,27,29)(H,25,26,28)
InChIKeyNYBCSXCFNDXZOQ-UHFFFAOYSA-N
MW423.88 g/mol
LogP3.97
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 141309918) has the molecular formula C21H19ClFN7 and a molecular weight of 423.88 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID141309918
Molecular FormulaC21H19ClFN7
Molecular Weight423.88 g/mol
Exact Mass423.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3ccc(N4CCNCC4)cn3)nccc2[nH]1
InChIInChI=1S/C21H19ClFN7/c22-14-2-1-3-15(23)18(14)20-27-16-6-7-25-21(19(16)29-20)28-17-5-4-13(12-26-17)30-10-8-24-9-11-30/h1-7,12,24H,8-11H2,(H,27,29)(H,25,26,28)
InChIKeyNYBCSXCFNDXZOQ-UHFFFAOYSA-N
XLogP3.97
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

[6-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-3-pyridinyl]methanol
CID 67383021
N-[6-(azetidin-1-yl)pyrimidin-4-yl]-2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383622
2-[4-[5-[[2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyrazin-2-yl]piperazin-1-yl]ethanol
CID 67383775
2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67388176
2-(2,6-dichlorophenyl)-N-(6-methylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383612
[6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 67388554
4-N-[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]-6-N-methylpyrimidine-4,6-diamine
CID 67383893
2-(2,6-dichlorophenyl)-N-[6-methyl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 67383768
[2-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-4-pyridinyl]methanol
CID 67383781
2-(2,6-dichlorophenyl)-N-(2,5-dimethylpyrazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 67388167
6-[[2-(2,6-dichlorophenyl)-1H-imidazo[4,5-c]pyridin-4-yl]amino]-N-methylpyrimidine-4-carboxamide
CID 67383833
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 141309918) is 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2c(Nc3ccc(N4CCNCC4)cn3)nccc2[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is NYBCSXCFNDXZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN7/c22-14-2-1-3-15(23)18(14)20-27-16-6-7-25-21(19(16)29-20)28-17-5-4-13(12-26-17)30-10-8-24-9-11-30/h1-7,12,24H,8-11H2,(H,27,29)(H,25,26,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 423.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 141309918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).