4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H17F2N5O — CID 11153237

IUPAC4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2cc(F)cc(F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H17F2N5O/c21-14-9-13(10-15(22)11-14)20(12-23)5-7-27(8-6-20)19(28)24-18-16-3-1-2-4-17(16)25-26-18/h1-4,9-11H,5-8H2,(H2,24,25,26,28)
InChIKeyQUQOFKZXLNWQLX-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.93
Rot. Bonds2

About 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11153237) has the molecular formula C20H17F2N5O and a molecular weight of 381.39 g/mol. Its IUPAC name is 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11153237
Molecular FormulaC20H17F2N5O
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2cc(F)cc(F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H17F2N5O/c21-14-9-13(10-15(22)11-14)20(12-23)5-7-27(8-6-20)19(28)24-18-16-3-1-2-4-17(16)25-26-18/h1-4,9-11H,5-8H2,(H2,24,25,26,28)
InChIKeyQUQOFKZXLNWQLX-UHFFFAOYSA-N
XLogP3.93
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11153237) is 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide is N#CC1(c2cc(F)cc(F)c2)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is QUQOFKZXLNWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O/c21-14-9-13(10-15(22)11-14)20(12-23)5-7-27(8-6-20)19(28)24-18-16-3-1-2-4-17(16)25-26-18/h1-4,9-11H,5-8H2,(H2,24,25,26,28).
What are the key properties of 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(3,5-difluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11153237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).