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

C17H18ClF5N4O2 — CID 134373258

IUPAC4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H18ClF5N4O2/c18-11-5-9-7-25-26-13(9)12(6-11)14(28)17(22,23)10-1-3-27(4-2-10)15(29)24-8-16(19,20)21/h5-7,10,14,28H,1-4,8H2,(H,24,29)(H,25,26)
InChIKeyUZVWDFAWNSAOCK-UHFFFAOYSA-N
MW440.80 g/mol
LogP3.87
Rot. Bonds4

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

4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 134373258) has the molecular formula C17H18ClF5N4O2 and a molecular weight of 440.80 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID134373258
Molecular FormulaC17H18ClF5N4O2
Molecular Weight440.80 g/mol
Exact Mass440.10
IUPAC Name4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C17H18ClF5N4O2/c18-11-5-9-7-25-26-13(9)12(6-11)14(28)17(22,23)10-1-3-27(4-2-10)15(29)24-8-16(19,20)21/h5-7,10,14,28H,1-4,8H2,(H,24,29)(H,25,26)
InChIKeyUZVWDFAWNSAOCK-UHFFFAOYSA-N
XLogP3.87
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.80
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 134373258) is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is UZVWDFAWNSAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF5N4O2/c18-11-5-9-7-25-26-13(9)12(6-11)14(28)17(22,23)10-1-3-27(4-2-10)15(29)24-8-16(19,20)21/h5-7,10,14,28H,1-4,8H2,(H,24,29)(H,25,26).
What are the key properties of 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 440.80 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 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-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 134373258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).