1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine

C24H27N7O — CID 90183495

IUPAC1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H27N7O/c1-17-27-20-15-26-23(14-21(20)31(17)16-18-6-4-3-5-7-18)28-22-8-11-25-24(29-22)30-12-9-19(32-2)10-13-30/h3-8,11,14-15,19H,9-10,12-13,16H2,1-2H3,(H,25,26,28,29)
InChIKeyGUPHGBXRTNWLPC-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.94
Rot. Bonds6

About 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine

1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90183495) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID90183495
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccccc3)n2)CC1
InChIInChI=1S/C24H27N7O/c1-17-27-20-15-26-23(14-21(20)31(17)16-18-6-4-3-5-7-18)28-22-8-11-25-24(29-22)30-12-9-19(32-2)10-13-30/h3-8,11,14-15,19H,9-10,12-13,16H2,1-2H3,(H,25,26,28,29)
InChIKeyGUPHGBXRTNWLPC-UHFFFAOYSA-N
XLogP3.94
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine (CID 90183495) is 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccccc3)n2)CC1.
What is the InChIKey of 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is GUPHGBXRTNWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-17-27-20-15-26-23(14-21(20)31(17)16-18-6-4-3-5-7-18)28-22-8-11-25-24(29-22)30-12-9-19(32-2)10-13-30/h3-8,11,14-15,19H,9-10,12-13,16H2,1-2H3,(H,25,26,28,29).
What are the key properties of 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 429.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).