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

C21H21N5O3 — CID 71728513

IUPAC2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)cn1
InChIInChI=1S/C21H21N5O3/c1-26-16-10-19(24-14-6-8-20(29-4)23-11-14)22-12-15(16)25-21(26)13-5-7-17(27-2)18(9-13)28-3/h5-12H,1-4H3,(H,22,24)
InChIKeyVVSPZDQURFIUEQ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.80
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 71728513) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID71728513
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)cn1
InChIInChI=1S/C21H21N5O3/c1-26-16-10-19(24-14-6-8-20(29-4)23-11-14)22-12-15(16)25-21(26)13-5-7-17(27-2)18(9-13)28-3/h5-12H,1-4H3,(H,22,24)
InChIKeyVVSPZDQURFIUEQ-UHFFFAOYSA-N
XLogP3.80
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine (CID 71728513) is 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine is COc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)cn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is VVSPZDQURFIUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-26-16-10-19(24-14-6-8-20(29-4)23-11-14)22-12-15(16)25-21(26)13-5-7-17(27-2)18(9-13)28-3/h5-12H,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine?
2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 391.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71728513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).