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

C19H25ClF2N4O3 — CID 134373323

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)(O)CNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H25ClF2N4O3/c1-18(2,29)10-23-17(28)26-5-3-12(4-6-26)19(21,22)16(27)14-8-13(20)7-11-9-24-25-15(11)14/h7-9,12,16,27,29H,3-6,10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyCWZFDKRFYPIAKP-UHFFFAOYSA-N
MW430.88 g/mol
LogP3.08
Rot. Bonds5

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

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide (PubChem CID 134373323) has the molecular formula C19H25ClF2N4O3 and a molecular weight of 430.88 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide
PubChem CID134373323
Molecular FormulaC19H25ClF2N4O3
Molecular Weight430.88 g/mol
Exact Mass430.16
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)(O)CNC(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C19H25ClF2N4O3/c1-18(2,29)10-23-17(28)26-5-3-12(4-6-26)19(21,22)16(27)14-8-13(20)7-11-9-24-25-15(11)14/h7-9,12,16,27,29H,3-6,10H2,1-2H3,(H,23,28)(H,24,25)
InChIKeyCWZFDKRFYPIAKP-UHFFFAOYSA-N
XLogP3.08
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-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-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide (CID 134373323) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide is CC(C)(O)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-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is CWZFDKRFYPIAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClF2N4O3/c1-18(2,29)10-23-17(28)26-5-3-12(4-6-26)19(21,22)16(27)14-8-13(20)7-11-9-24-25-15(11)14/h7-9,12,16,27,29H,3-6,10H2,1-2H3,(H,23,28)(H,24,25).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 430.88 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 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-(2-hydroxy-2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).