1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine

C25H27N9O — CID 90177676

IUPAC1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccc4nc[nH]c4c3)n2)CC1
InChIInChI=1S/C25H27N9O/c1-16-30-21-13-27-24(12-22(21)34(16)14-17-3-4-19-20(11-17)29-15-28-19)31-23-5-8-26-25(32-23)33-9-6-18(35-2)7-10-33/h3-5,8,11-13,15,18H,6-7,9-10,14H2,1-2H3,(H,28,29)(H,26,27,31,32)
InChIKeyRGVZFKOOMWIORQ-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.81
Rot. Bonds6

About 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine

1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine (PubChem CID 90177676) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
PubChem CID90177676
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccc4nc[nH]c4c3)n2)CC1
InChIInChI=1S/C25H27N9O/c1-16-30-21-13-27-24(12-22(21)34(16)14-17-3-4-19-20(11-17)29-15-28-19)31-23-5-8-26-25(32-23)33-9-6-18(35-2)7-10-33/h3-5,8,11-13,15,18H,6-7,9-10,14H2,1-2H3,(H,28,29)(H,26,27,31,32)
InChIKeyRGVZFKOOMWIORQ-UHFFFAOYSA-N
XLogP3.81
TPSA109.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine (CID 90177676) is 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4Cc3ccc4nc[nH]c4c3)n2)CC1.
What is the InChIKey of 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
The InChIKey is RGVZFKOOMWIORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O/c1-16-30-21-13-27-24(12-22(21)34(16)14-17-3-4-19-20(11-17)29-15-28-19)31-23-5-8-26-25(32-23)33-9-6-18(35-2)7-10-33/h3-5,8,11-13,15,18H,6-7,9-10,14H2,1-2H3,(H,28,29)(H,26,27,31,32).
What are the key properties of 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine?
1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine has a molecular weight of 469.55 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-ylmethyl)-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-2-methylimidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90177676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).