[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone

C18H22F2N4O2 — CID 147744852

IUPAC[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)CC(C)C2CO)nc1
InChIInChI=1S/C18H22F2N4O2/c1-11-4-5-14(21-7-11)13-8-23(3)22-16(13)17(26)24-10-18(19,20)6-12(2)15(24)9-25/h4-5,7-8,12,15,25H,6,9-10H2,1-3H3
InChIKeyHBBHTDYOTACGJV-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.27
Rot. Bonds3

About [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone

[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone (PubChem CID 147744852) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
PubChem CID147744852
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)CC(C)C2CO)nc1
InChIInChI=1S/C18H22F2N4O2/c1-11-4-5-14(21-7-11)13-8-23(3)22-16(13)17(26)24-10-18(19,20)6-12(2)15(24)9-25/h4-5,7-8,12,15,25H,6,9-10H2,1-3H3
InChIKeyHBBHTDYOTACGJV-UHFFFAOYSA-N
XLogP2.27
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-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 [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The IUPAC name of [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone (CID 147744852) is [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The canonical SMILES for [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone is Cc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)CC(C)C2CO)nc1.
What is the InChIKey of [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The InChIKey is HBBHTDYOTACGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-11-4-5-14(21-7-11)13-8-23(3)22-16(13)17(26)24-10-18(19,20)6-12(2)15(24)9-25/h4-5,7-8,12,15,25H,6,9-10H2,1-3H3.
What are the key properties of [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone has a molecular weight of 364.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 147744852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).