(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

C12H14F2N4O — CID 77093896

IUPAC(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3CCC(F)(F)CC3)c12
InChIInChI=1S/C12H14F2N4O/c1-16-6-7-18-10(16)9(8-15-18)11(19)17-4-2-12(13,14)3-5-17/h6-8H,2-5H2,1H3
InChIKeyKPTZVWUQAHOLOM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.54
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone

(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (PubChem CID 77093896) has the molecular formula C12H14F2N4O and a molecular weight of 268.27 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
PubChem CID77093896
Molecular FormulaC12H14F2N4O
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
SMILESCn1ccn2ncc(C(=O)N3CCC(F)(F)CC3)c12
InChIInChI=1S/C12H14F2N4O/c1-16-6-7-18-10(16)9(8-15-18)11(19)17-4-2-12(13,14)3-5-17/h6-8H,2-5H2,1H3
InChIKeyKPTZVWUQAHOLOM-UHFFFAOYSA-N
XLogP1.54
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-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 (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone (CID 77093896) is (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is Cn1ccn2ncc(C(=O)N3CCC(F)(F)CC3)c12.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
The InChIKey is KPTZVWUQAHOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4O/c1-16-6-7-18-10(16)9(8-15-18)11(19)17-4-2-12(13,14)3-5-17/h6-8H,2-5H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone has a molecular weight of 268.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone is sourced from PubChem (CID 77093896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).