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

C21H27N7O — CID 90178371

IUPAC1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCCC3)n2)CC1
InChIInChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)
InChIKeyHVRZVMCNHMWTOQ-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.70
Rot. Bonds5

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

1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 90178371) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
PubChem CID90178371
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine
SMILESCOC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCCC3)n2)CC1
InChIInChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)
InChIKeyHVRZVMCNHMWTOQ-UHFFFAOYSA-N
XLogP3.70
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine (CID 90178371) is 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is COC1CCN(c2nccc(Nc3cc4c(cn3)ncn4C3CCCC3)n2)CC1.
What is the InChIKey of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is HVRZVMCNHMWTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26).
What are the key properties of 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine?
1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 393.50 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 90178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).