(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

C20H17ClF3N3O — CID 118872306

IUPAC(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H17ClF3N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyZYHJGKAVEBWFFB-UHFFFAOYSA-N
MW407.82 g/mol
LogP5.25
Rot. Bonds2

About (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 118872306) has the molecular formula C20H17ClF3N3O and a molecular weight of 407.82 g/mol. Its IUPAC name is (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
PubChem CID118872306
Molecular FormulaC20H17ClF3N3O
Molecular Weight407.82 g/mol
Exact Mass407.10
IUPAC Name(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
SMILESO=C(c1n[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H17ClF3N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26)
InChIKeyZYHJGKAVEBWFFB-UHFFFAOYSA-N
XLogP5.25
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.82
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indazole-3-carboxamide
CID 11191030
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1H-indazole-3-carboxamide
CID 11123162
N-[2-(4-chlorophenyl)ethyl]-1H-indazole-3-carboxamide
CID 4884098
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 117607480
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872302
(6-fluoro-1H-indazol-3-yl)(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118872305
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872342
(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872370
[2-(4-chlorophenyl)-4-methylpiperazin-1-yl]-(3-methyl-2H-indazol-5-yl)methanone
CID 118879399
N-(3-chloro-4-fluorophenyl)-1H-indazole-3-carboxamide
CID 4790595
(4-chlorophenyl){1-[(5-methyl-1H-indazol-3-yl)carbonyl]piperidin-3-yl}methanone
CID 16188605
N-benzyl-3-(5-chloro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 49795659

Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (CID 118872306) is (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is O=C(c1n[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
The InChIKey is ZYHJGKAVEBWFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O/c21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24/h1-6,11-12H,7-10H2,(H,25,26).
What are the key properties of (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone?
(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone has a molecular weight of 407.82 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 118872306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).