4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C20H18FN5O — CID 11245422

IUPAC4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2ccccc2F)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18FN5O/c21-16-7-3-2-6-15(16)20(13-22)9-11-26(12-10-20)19(27)23-18-14-5-1-4-8-17(14)24-25-18/h1-8H,9-12H2,(H2,23,24,25,27)
InChIKeyYHTIWAPKSFDTGM-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.79
Rot. Bonds2

About 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11245422) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11245422
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESN#CC1(c2ccccc2F)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1
InChIInChI=1S/C20H18FN5O/c21-16-7-3-2-6-15(16)20(13-22)9-11-26(12-10-20)19(27)23-18-14-5-1-4-8-17(14)24-25-18/h1-8H,9-12H2,(H2,23,24,25,27)
InChIKeyYHTIWAPKSFDTGM-UHFFFAOYSA-N
XLogP3.79
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11245422) is 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide is N#CC1(c2ccccc2F)CCN(C(=O)Nc2n[nH]c3ccccc23)CC1.
What is the InChIKey of 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is YHTIWAPKSFDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-16-7-3-2-6-15(16)20(13-22)9-11-26(12-10-20)19(27)23-18-14-5-1-4-8-17(14)24-25-18/h1-8H,9-12H2,(H2,23,24,25,27).
What are the key properties of 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 363.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11245422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).