[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

C17H22F2N6O — CID 127638387

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESO=C(C1CCn2cncc2C1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C17H22F2N6O/c18-17(19)25-4-2-21-15(25)11-22-5-7-23(8-6-22)16(26)13-1-3-24-12-20-10-14(24)9-13/h2,4,10,12-13,17H,1,3,5-9,11H2
InChIKeyKRUROBAZBUHENV-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.38
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (PubChem CID 127638387) has the molecular formula C17H22F2N6O and a molecular weight of 364.40 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
PubChem CID127638387
Molecular FormulaC17H22F2N6O
Molecular Weight364.40 g/mol
Exact Mass364.18
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
SMILESO=C(C1CCn2cncc2C1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C17H22F2N6O/c18-17(19)25-4-2-21-15(25)11-22-5-7-23(8-6-22)16(26)13-1-3-24-12-20-10-14(24)9-13/h2,4,10,12-13,17H,1,3,5-9,11H2
InChIKeyKRUROBAZBUHENV-UHFFFAOYSA-N
XLogP1.38
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone (CID 127638387) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is O=C(C1CCn2cncc2C1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is KRUROBAZBUHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N6O/c18-17(19)25-4-2-21-15(25)11-22-5-7-23(8-6-22)16(26)13-1-3-24-12-20-10-14(24)9-13/h2,4,10,12-13,17H,1,3,5-9,11H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 364.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 127638387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).