2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone

C23H25ClF3N5O — CID 154037714

IUPAC2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C23H25ClF3N5O/c24-18-11-19-16(10-20(18)32-9-5-2-6-21(32)23(25,26)27)12-31(28-19)15-22(33)30-13-17(14-30)29-7-3-1-4-8-29/h2,5-6,10-12,17H,1,3-4,7-9,13-15H2
InChIKeyXJLXRWJCVJNFOL-UHFFFAOYSA-N
MW479.93 g/mol
LogP4.21
Rot. Bonds4

About 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone

2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone (PubChem CID 154037714) has the molecular formula C23H25ClF3N5O and a molecular weight of 479.93 g/mol. Its IUPAC name is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
PubChem CID154037714
Molecular FormulaC23H25ClF3N5O
Molecular Weight479.93 g/mol
Exact Mass479.17
IUPAC Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CC(N2CCCCC2)C1
InChIInChI=1S/C23H25ClF3N5O/c24-18-11-19-16(10-20(18)32-9-5-2-6-21(32)23(25,26)27)12-31(28-19)15-22(33)30-13-17(14-30)29-7-3-1-4-8-29/h2,5-6,10-12,17H,1,3-4,7-9,13-15H2
InChIKeyXJLXRWJCVJNFOL-UHFFFAOYSA-N
XLogP4.21
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 54.21
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-(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 60
CID 118172659
US9951086, Example 61
CID 118182518
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
2-(6-Chloroindazol-1-yl)-1-piperidin-1-ylethanone
CID 6625648
2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 6625724
N-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 20892341

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone (CID 154037714) is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone is O=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CC(N2CCCCC2)C1.
What is the InChIKey of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
The InChIKey is XJLXRWJCVJNFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N5O/c24-18-11-19-16(10-20(18)32-9-5-2-6-21(32)23(25,26)27)12-31(28-19)15-22(33)30-13-17(14-30)29-7-3-1-4-8-29/h2,5-6,10-12,17H,1,3-4,7-9,13-15H2.
What are the key properties of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone?
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone has a molecular weight of 479.93 g/mol, XLogP of 4.21, 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-(3-piperidin-1-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 154037714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).