N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide

C15H17ClF2N4O — CID 136539694

IUPACN-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)C1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17ClF2N4O/c16-11-3-1-2-10-13(11)20-21-14(10)19-15(23)9-4-6-22(7-5-9)8-12(17)18/h1-3,9,12H,4-8H2,(H2,19,20,21,23)
InChIKeyZHWBOZFLNFOECB-UHFFFAOYSA-N
MW342.78 g/mol
LogP3.13
Rot. Bonds4

About N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide

N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide (PubChem CID 136539694) has the molecular formula C15H17ClF2N4O and a molecular weight of 342.78 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
PubChem CID136539694
Molecular FormulaC15H17ClF2N4O
Molecular Weight342.78 g/mol
Exact Mass342.11
IUPAC NameN-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)C1CCN(CC(F)F)CC1
InChIInChI=1S/C15H17ClF2N4O/c16-11-3-1-2-10-13(11)20-21-14(10)19-15(23)9-4-6-22(7-5-9)8-12(17)18/h1-3,9,12H,4-8H2,(H2,19,20,21,23)
InChIKeyZHWBOZFLNFOECB-UHFFFAOYSA-N
XLogP3.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide (CID 136539694) is N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide is O=C(Nc1n[nH]c2c(Cl)cccc12)C1CCN(CC(F)F)CC1.
What is the InChIKey of N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
The InChIKey is ZHWBOZFLNFOECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N4O/c16-11-3-1-2-10-13(11)20-21-14(10)19-15(23)9-4-6-22(7-5-9)8-12(17)18/h1-3,9,12H,4-8H2,(H2,19,20,21,23).
What are the key properties of N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide?
N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide has a molecular weight of 342.78 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1H-indazol-3-yl)-1-(2,2-difluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 136539694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).