4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide

C16H19ClF2N4O2 — CID 134373249

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C16H19ClF2N4O2/c1-20-15(25)23-4-2-10(3-5-23)16(18,19)14(24)12-7-11(17)6-9-8-21-22-13(9)12/h6-8,10,14,24H,2-5H2,1H3,(H,20,25)(H,21,22)
InChIKeyNJWNYINQAVIOAW-UHFFFAOYSA-N
MW372.80 g/mol
LogP2.94
Rot. Bonds3

About 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide (PubChem CID 134373249) has the molecular formula C16H19ClF2N4O2 and a molecular weight of 372.80 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide
PubChem CID134373249
Molecular FormulaC16H19ClF2N4O2
Molecular Weight372.80 g/mol
Exact Mass372.12
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide
SMILESCNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C16H19ClF2N4O2/c1-20-15(25)23-4-2-10(3-5-23)16(18,19)14(24)12-7-11(17)6-9-8-21-22-13(9)12/h6-8,10,14,24H,2-5H2,1H3,(H,20,25)(H,21,22)
InChIKeyNJWNYINQAVIOAW-UHFFFAOYSA-N
XLogP2.94
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide 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-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide (CID 134373249) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide is CNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide?
The InChIKey is NJWNYINQAVIOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF2N4O2/c1-20-15(25)23-4-2-10(3-5-23)16(18,19)14(24)12-7-11(17)6-9-8-21-22-13(9)12/h6-8,10,14,24H,2-5H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 372.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 134373249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).