1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine

C22H23N5O3 — CID 71447809

IUPAC1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
SMILESCOc1cc(Nc2cc3c(cn2)nc(Cc2cccnc2)n3C)cc(OC)c1OC
InChIInChI=1S/C22H23N5O3/c1-27-17-11-20(25-15-9-18(28-2)22(30-4)19(10-15)29-3)24-13-16(17)26-21(27)8-14-6-5-7-23-12-14/h5-7,9-13H,8H2,1-4H3,(H,24,25)
InChIKeyQFTYZKZTDOGXRB-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.72
Rot. Bonds7

About 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine

1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine (PubChem CID 71447809) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
PubChem CID71447809
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
SMILESCOc1cc(Nc2cc3c(cn2)nc(Cc2cccnc2)n3C)cc(OC)c1OC
InChIInChI=1S/C22H23N5O3/c1-27-17-11-20(25-15-9-18(28-2)22(30-4)19(10-15)29-3)24-13-16(17)26-21(27)8-14-6-5-7-23-12-14/h5-7,9-13H,8H2,1-4H3,(H,24,25)
InChIKeyQFTYZKZTDOGXRB-UHFFFAOYSA-N
XLogP3.72
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine (CID 71447809) is 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine is COc1cc(Nc2cc3c(cn2)nc(Cc2cccnc2)n3C)cc(OC)c1OC.
What is the InChIKey of 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The InChIKey is QFTYZKZTDOGXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-27-17-11-20(25-15-9-18(28-2)22(30-4)19(10-15)29-3)24-13-16(17)26-21(27)8-14-6-5-7-23-12-14/h5-7,9-13H,8H2,1-4H3,(H,24,25).
What are the key properties of 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine has a molecular weight of 405.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71447809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).