4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C24H26ClF3N4O2 — CID 134373505

IUPAC4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H26ClF3N4O2/c1-23(2,21(33)17-12-16(25)11-14-13-29-31-20(14)17)15-7-9-32(10-8-15)22(34)30-19-6-4-3-5-18(19)24(26,27)28/h3-6,11-13,15,21,33H,7-10H2,1-2H3,(H,29,31)(H,30,34)/t21-/m0/s1
InChIKeyLQKITCIDTKSGLM-NRFANRHFSA-N
MW494.95 g/mol
LogP6.24
Rot. Bonds4

About 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 134373505) has the molecular formula C24H26ClF3N4O2 and a molecular weight of 494.95 g/mol. Its IUPAC name is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID134373505
Molecular FormulaC24H26ClF3N4O2
Molecular Weight494.95 g/mol
Exact Mass494.17
IUPAC Name4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C24H26ClF3N4O2/c1-23(2,21(33)17-12-16(25)11-14-13-29-31-20(14)17)15-7-9-32(10-8-15)22(34)30-19-6-4-3-5-18(19)24(26,27)28/h3-6,11-13,15,21,33H,7-10H2,1-2H3,(H,29,31)(H,30,34)/t21-/m0/s1
InChIKeyLQKITCIDTKSGLM-NRFANRHFSA-N
XLogP6.24
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.95
LogP ≤ 56.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 134373505) is 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)[C@@H](O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is LQKITCIDTKSGLM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26ClF3N4O2/c1-23(2,21(33)17-12-16(25)11-14-13-29-31-20(14)17)15-7-9-32(10-8-15)22(34)30-19-6-4-3-5-18(19)24(26,27)28/h3-6,11-13,15,21,33H,7-10H2,1-2H3,(H,29,31)(H,30,34)/t21-/m0/s1.
What are the key properties of 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 6.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 134373505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).