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

C20H25N7O — CID 90183333

IUPAC1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCC3)n2)CC1
InChIInChI=1S/C20H25N7O/c1-28-15-6-9-26(10-7-15)20-21-8-5-18(25-20)24-19-11-17-16(12-22-19)23-13-27(17)14-3-2-4-14/h5,8,11-15H,2-4,6-7,9-10H2,1H3,(H,21,22,24,25)
InChIKeyZZSGWKOZQAXJQS-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.31
Rot. Bonds5

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

1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 90183333) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
PubChem CID90183333
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCC3)n2)CC1
InChIInChI=1S/C20H25N7O/c1-28-15-6-9-26(10-7-15)20-21-8-5-18(25-20)24-19-11-17-16(12-22-19)23-13-27(17)14-3-2-4-14/h5,8,11-15H,2-4,6-7,9-10H2,1H3,(H,21,22,24,25)
InChIKeyZZSGWKOZQAXJQS-UHFFFAOYSA-N
XLogP3.31
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (CID 90183333) is 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCC3)n2)CC1.
What is the InChIKey of 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is ZZSGWKOZQAXJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c1-28-15-6-9-26(10-7-15)20-21-8-5-18(25-20)24-19-11-17-16(12-22-19)23-13-27(17)14-3-2-4-14/h5,8,11-15H,2-4,6-7,9-10H2,1H3,(H,21,22,24,25).
What are the key properties of 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 379.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90183333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).