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

C25H29ClF3N5O2 — CID 154037715

IUPAC2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C25H29ClF3N5O2/c26-20-14-21-17(13-22(20)34-8-2-1-3-23(34)25(27,28)29)15-33(30-21)16-24(36)32-9-4-18(5-10-32)31-11-6-19(35)7-12-31/h1-3,13-15,18-19,35H,4-12,16H2
InChIKeyNFFGBKPIOKQDLG-UHFFFAOYSA-N
MW523.99 g/mol
LogP3.96
Rot. Bonds4

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

2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (PubChem CID 154037715) has the molecular formula C25H29ClF3N5O2 and a molecular weight of 523.99 g/mol. Its IUPAC name is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
PubChem CID154037715
Molecular FormulaC25H29ClF3N5O2
Molecular Weight523.99 g/mol
Exact Mass523.20
IUPAC Name2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C25H29ClF3N5O2/c26-20-14-21-17(13-22(20)34-8-2-1-3-23(34)25(27,28)29)15-33(30-21)16-24(36)32-9-4-18(5-10-32)31-11-6-19(35)7-12-31/h1-3,13-15,18-19,35H,4-12,16H2
InChIKeyNFFGBKPIOKQDLG-UHFFFAOYSA-N
XLogP3.96
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.99
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

US9951086, Example 59
CID 118173062
US9951086, Example 63
CID 118182620
N-[6-chloro-2-[2-(4-hydroxy-1-piperidin-4-ylpiperidin-1-ium-1-yl)-2-oxoethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 118172964
N-[6-chloro-2-[2-(3,3-difluoropyrrolidin-1-yl)-2-oxoethyl]indazol-5-yl]formamide
CID 134422963
3-[6-chloro-2-(oxan-4-yl)indazol-5-yl]-4-(trifluoromethyl)-2H-1,3-thiazole-2-carboxamide
CID 137377543
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 153935667
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-N-[(3R)-piperidin-3-yl]acetamide
CID 153935680
1-[6-chloro-2-[4-(hydroxymethyl)cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)-2H-pyrazine-2-carboxamide
CID 170693378
1-[4-[2-[6-Chloro-5-[6-(trifluoromethyl)pyridin-2-yl]indazol-2-yl]acetyl]piperazin-1-yl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 150617322
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 154037708
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-(3-piperidin-1-ylazetidin-1-yl)ethanone
CID 154037714
6-chloro-2-(3-methoxy-3-methylbutyl)-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazole
CID 158851914

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone (CID 154037715) is 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is O=C(Cn1cc2cc(N3CC=CC=C3C(F)(F)F)c(Cl)cc2n1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is NFFGBKPIOKQDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N5O2/c26-20-14-21-17(13-22(20)34-8-2-1-3-23(34)25(27,28)29)15-33(30-21)16-24(36)32-9-4-18(5-10-32)31-11-6-19(35)7-12-31/h1-3,13-15,18-19,35H,4-12,16H2.
What are the key properties of 2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone?
2-[6-chloro-5-[6-(trifluoromethyl)-2H-pyridin-1-yl]indazol-2-yl]-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 523.99 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154037715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).