2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C24H27ClF3N5O — CID 154037708

IUPAC2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H27ClF3N5O/c25-19-14-20-17(13-21(19)33-10-2-1-5-22(33)24(26,27)28)15-32(29-20)16-23(34)31-11-6-18(7-12-31)30-8-3-4-9-30/h1-2,5,13-15,18H,3-4,6-12,16H2
InChIKeyXHNAALAKRCKFSH-UHFFFAOYSA-N
MW493.96 g/mol
LogP4.60
Rot. Bonds4

About 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 154037708) has the molecular formula C24H27ClF3N5O and a molecular weight of 493.96 g/mol. Its IUPAC name is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID154037708
Molecular FormulaC24H27ClF3N5O
Molecular Weight493.96 g/mol
Exact Mass493.19
IUPAC Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C24H27ClF3N5O/c25-19-14-20-17(13-21(19)33-10-2-1-5-22(33)24(26,27)28)15-32(29-20)16-23(34)31-11-6-18(7-12-31)30-8-3-4-9-30/h1-2,5,13-15,18H,3-4,6-12,16H2
InChIKeyXHNAALAKRCKFSH-UHFFFAOYSA-N
XLogP4.60
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.96
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205149
4-(2,4-dichlorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205319
4-(2-chloro-4-(trifluoromethyl)phenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205829
4-(5-chloropyridin-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206134
4-(4-chloro-2-fluorophenyl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 52942550
2-[4-[(6-chloro-2-methylindazol-5-yl)amino]-2,6-dioxo-3-[(3,4,5-trifluorophenyl)methyl]-1,3,5-triazin-1-yl]-N-ethylacetamide
CID 168292973
1-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-indazole
CID 3239674
US9951086, Example 250
CID 118172757
US9951086, Example 249
CID 118173016
US9951086, Example 57
CID 118182540
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 16012200
6-chloro-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1H-indazole
CID 22510006

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 154037708) is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is O=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is XHNAALAKRCKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF3N5O/c25-19-14-20-17(13-21(19)33-10-2-1-5-22(33)24(26,27)28)15-32(29-20)16-23(34)31-11-6-18(7-12-31)30-8-3-4-9-30/h1-2,5,13-15,18H,3-4,6-12,16H2.
What are the key properties of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 493.96 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 154037708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).