3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine

C18H15ClN6O2 — CID 121347955

IUPAC3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
SMILESCOc1cc(Nc2nc3ccncc3n2-c2cc(Cl)ncn2)cc(OC)c1
InChIInChI=1S/C18H15ClN6O2/c1-26-12-5-11(6-13(7-12)27-2)23-18-24-14-3-4-20-9-15(14)25(18)17-8-16(19)21-10-22-17/h3-10H,1-2H3,(H,23,24)
InChIKeyJTGXIDDXUALLFK-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.62
Rot. Bonds5

About 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine

3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 121347955) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID121347955
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC Name3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine
SMILESCOc1cc(Nc2nc3ccncc3n2-c2cc(Cl)ncn2)cc(OC)c1
InChIInChI=1S/C18H15ClN6O2/c1-26-12-5-11(6-13(7-12)27-2)23-18-24-14-3-4-20-9-15(14)25(18)17-8-16(19)21-10-22-17/h3-10H,1-2H3,(H,23,24)
InChIKeyJTGXIDDXUALLFK-UHFFFAOYSA-N
XLogP3.62
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine (CID 121347955) is 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine is COc1cc(Nc2nc3ccncc3n2-c2cc(Cl)ncn2)cc(OC)c1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is JTGXIDDXUALLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-26-12-5-11(6-13(7-12)27-2)23-18-24-14-3-4-20-9-15(14)25(18)17-8-16(19)21-10-22-17/h3-10H,1-2H3,(H,23,24).
What are the key properties of 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine?
3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 382.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-N-(3,5-dimethoxyphenyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 121347955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).