N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C18H27F3N4O — CID 97346848

IUPACN-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)n1cc2c(n1)[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)CCC2
InChIInChI=1S/C18H27F3N4O/c1-12(2)25-10-14-4-3-5-15(16(14)23-25)22-17(26)13-6-8-24(9-7-13)11-18(19,20)21/h10,12-13,15H,3-9,11H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyDSDCGOBADQZVKH-HNNXBMFYSA-N
MW372.44 g/mol
LogP3.23
Rot. Bonds4

About N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 97346848) has the molecular formula C18H27F3N4O and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID97346848
Molecular FormulaC18H27F3N4O
Molecular Weight372.44 g/mol
Exact Mass372.21
IUPAC NameN-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)n1cc2c(n1)[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)CCC2
InChIInChI=1S/C18H27F3N4O/c1-12(2)25-10-14-4-3-5-15(16(14)23-25)22-17(26)13-6-8-24(9-7-13)11-18(19,20)21/h10,12-13,15H,3-9,11H2,1-2H3,(H,22,26)/t15-/m0/s1
InChIKeyDSDCGOBADQZVKH-HNNXBMFYSA-N
XLogP3.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 97346848) is N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(C)n1cc2c(n1)[C@@H](NC(=O)C1CCN(CC(F)(F)F)CC1)CCC2.
What is the InChIKey of N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is DSDCGOBADQZVKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27F3N4O/c1-12(2)25-10-14-4-3-5-15(16(14)23-25)22-17(26)13-6-8-24(9-7-13)11-18(19,20)21/h10,12-13,15H,3-9,11H2,1-2H3,(H,22,26)/t15-/m0/s1.
What are the key properties of N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 97346848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).