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

C22H20ClF2N5O2 — CID 134373535

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1
InChIInChI=1S/C22H20ClF2N5O2/c23-16-9-14-12-27-29-19(14)18(10-16)20(31)22(24,25)15-5-7-30(8-6-15)21(32)28-17-3-1-13(11-26)2-4-17/h1-4,9-10,12,15,20,31H,5-8H2,(H,27,29)(H,28,32)
InChIKeySONOCTLXMQDYLZ-UHFFFAOYSA-N
MW459.88 g/mol
LogP4.70
Rot. Bonds4

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

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide (PubChem CID 134373535) has the molecular formula C22H20ClF2N5O2 and a molecular weight of 459.88 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide
PubChem CID134373535
Molecular FormulaC22H20ClF2N5O2
Molecular Weight459.88 g/mol
Exact Mass459.13
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide
SMILESN#Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1
InChIInChI=1S/C22H20ClF2N5O2/c23-16-9-14-12-27-29-19(14)18(10-16)20(31)22(24,25)15-5-7-30(8-6-15)21(32)28-17-3-1-13(11-26)2-4-17/h1-4,9-10,12,15,20,31H,5-8H2,(H,27,29)(H,28,32)
InChIKeySONOCTLXMQDYLZ-UHFFFAOYSA-N
XLogP4.70
TPSA105.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.88
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide (CID 134373535) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide is N#Cc1ccc(NC(=O)N2CCC(C(F)(F)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
The InChIKey is SONOCTLXMQDYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N5O2/c23-16-9-14-12-27-29-19(14)18(10-16)20(31)22(24,25)15-5-7-30(8-6-15)21(32)28-17-3-1-13(11-26)2-4-17/h1-4,9-10,12,15,20,31H,5-8H2,(H,27,29)(H,28,32).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(4-cyanophenyl)piperidine-1-carboxamide has a molecular weight of 459.88 g/mol, XLogP of 4.70, 4 rotatable bonds, 3 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-(4-cyanophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).