N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

C16H23F2N3O — CID 154758676

IUPACN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1ncc2n1CCC(C(=O)N(CC(F)F)CC1CCC1)C2
InChIInChI=1S/C16H23F2N3O/c1-11-19-8-14-7-13(5-6-21(11)14)16(22)20(10-15(17)18)9-12-3-2-4-12/h8,12-13,15H,2-7,9-10H2,1H3
InChIKeyABIRXHGEAGASQF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.65
Rot. Bonds5

About N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide

N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (PubChem CID 154758676) has the molecular formula C16H23F2N3O and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
PubChem CID154758676
Molecular FormulaC16H23F2N3O
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC NameN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
SMILESCc1ncc2n1CCC(C(=O)N(CC(F)F)CC1CCC1)C2
InChIInChI=1S/C16H23F2N3O/c1-11-19-8-14-7-13(5-6-21(11)14)16(22)20(10-15(17)18)9-12-3-2-4-12/h8,12-13,15H,2-7,9-10H2,1H3
InChIKeyABIRXHGEAGASQF-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide (CID 154758676) is N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is Cc1ncc2n1CCC(C(=O)N(CC(F)F)CC1CCC1)C2.
What is the InChIKey of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
The InChIKey is ABIRXHGEAGASQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O/c1-11-19-8-14-7-13(5-6-21(11)14)16(22)20(10-15(17)18)9-12-3-2-4-12/h8,12-13,15H,2-7,9-10H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide?
N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 154758676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).