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

C20H17ClFN7O — CID 67388176

IUPAC2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCOCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C20H17ClFN7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27)
InChIKeyDHYCIORRLQPUKB-UHFFFAOYSA-N
MW425.86 g/mol
LogP3.79
Rot. Bonds4

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

2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 67388176) has the molecular formula C20H17ClFN7O and a molecular weight of 425.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID67388176
Molecular FormulaC20H17ClFN7O
Molecular Weight425.86 g/mol
Exact Mass425.12
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESFc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCOCC4)ncn3)nccc2[nH]1
InChIInChI=1S/C20H17ClFN7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27)
InChIKeyDHYCIORRLQPUKB-UHFFFAOYSA-N
XLogP3.79
TPSA91.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 67388176) is 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is Fc1cccc(Cl)c1-c1nc2c(Nc3cc(N4CCOCC4)ncn3)nccc2[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is DHYCIORRLQPUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN7O/c21-12-2-1-3-13(22)17(12)19-26-14-4-5-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-6-8-30-9-7-29/h1-5,10-11H,6-9H2,(H,26,28)(H,23,24,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine?
2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 425.86 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 67388176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).