N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine

C21H18ClFN4O2 — CID 71728712

IUPACN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(-c2nc3cnc(Nc4ccc(F)c(Cl)c4)cc3n2C)cc1OC
InChIInChI=1S/C21H18ClFN4O2/c1-27-17-10-20(25-13-5-6-15(23)14(22)9-13)24-11-16(17)26-21(27)12-4-7-18(28-2)19(8-12)29-3/h4-11H,1-3H3,(H,24,25)
InChIKeyYGXLHHVNXZOMAW-UHFFFAOYSA-N
MW412.85 g/mol
LogP5.19
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine

N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 71728712) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID71728712
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(-c2nc3cnc(Nc4ccc(F)c(Cl)c4)cc3n2C)cc1OC
InChIInChI=1S/C21H18ClFN4O2/c1-27-17-10-20(25-13-5-6-15(23)14(22)9-13)24-11-16(17)26-21(27)12-4-7-18(28-2)19(8-12)29-3/h4-11H,1-3H3,(H,24,25)
InChIKeyYGXLHHVNXZOMAW-UHFFFAOYSA-N
XLogP5.19
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.85
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine (CID 71728712) is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine is COc1ccc(-c2nc3cnc(Nc4ccc(F)c(Cl)c4)cc3n2C)cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is YGXLHHVNXZOMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c1-27-17-10-20(25-13-5-6-15(23)14(22)9-13)24-11-16(17)26-21(27)12-4-7-18(28-2)19(8-12)29-3/h4-11H,1-3H3,(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 412.85 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)-1-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71728712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).