1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one

C20H33N3O — CID 45271160

IUPAC1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one
SMILESCCCCC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C20H33N3O/c1-5-6-7-19(24)22-11-10-17-16(14-22)21-18(12-20(2,3)4)23(17)13-15-8-9-15/h15H,5-14H2,1-4H3
InChIKeyVPYSGZVNQXLYKH-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.96
Rot. Bonds6

About 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one

1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one (PubChem CID 45271160) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one
PubChem CID45271160
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one
SMILESCCCCC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1
InChIInChI=1S/C20H33N3O/c1-5-6-7-19(24)22-11-10-17-16(14-22)21-18(12-20(2,3)4)23(17)13-15-8-9-15/h15H,5-14H2,1-4H3
InChIKeyVPYSGZVNQXLYKH-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one?
The IUPAC name of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one (CID 45271160) is 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one is CCCCC(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one?
The InChIKey is VPYSGZVNQXLYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-5-6-7-19(24)22-11-10-17-16(14-22)21-18(12-20(2,3)4)23(17)13-15-8-9-15/h15H,5-14H2,1-4H3.
What are the key properties of 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one?
1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one has a molecular weight of 331.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]pentan-1-one is sourced from PubChem (CID 45271160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).