N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide

C22H23ClF2N4O2 — CID 134373533

IUPACN-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(O)C(F)(F)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2[nH]ncc2c1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-10-14-12-26-28-19(14)18(11-13)20(30)22(24,25)15-6-8-29(9-7-15)21(31)27-17-4-2-16(23)3-5-17/h2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31)
InChIKeyJKCXYHLWCQZOMB-UHFFFAOYSA-N
MW448.90 g/mol
LogP5.14
Rot. Bonds4

About N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide

N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide (PubChem CID 134373533) has the molecular formula C22H23ClF2N4O2 and a molecular weight of 448.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide
PubChem CID134373533
Molecular FormulaC22H23ClF2N4O2
Molecular Weight448.90 g/mol
Exact Mass448.15
IUPAC NameN-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C(O)C(F)(F)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2[nH]ncc2c1
InChIInChI=1S/C22H23ClF2N4O2/c1-13-10-14-12-26-28-19(14)18(11-13)20(30)22(24,25)15-6-8-29(9-7-15)21(31)27-17-4-2-16(23)3-5-17/h2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31)
InChIKeyJKCXYHLWCQZOMB-UHFFFAOYSA-N
XLogP5.14
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.90
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide (CID 134373533) is N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide is Cc1cc(C(O)C(F)(F)C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c2[nH]ncc2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is JKCXYHLWCQZOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O2/c1-13-10-14-12-26-28-19(14)18(11-13)20(30)22(24,25)15-6-8-29(9-7-15)21(31)27-17-4-2-16(23)3-5-17/h2-5,10-12,15,20,30H,6-9H2,1H3,(H,26,28)(H,27,31).
What are the key properties of N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide?
N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 448.90 g/mol, XLogP of 5.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[1,1-difluoro-2-hydroxy-2-(5-methyl-1H-indazol-7-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 134373533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).