1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone

C19H16F3N3O2 — CID 140554831

IUPAC1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
SMILESO=C(c1cc2c(CCC(F)(F)F)n[nH]c2cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)6-5-15-13-7-14(17(26)8-16(13)24-23-15)18(27)25-9-11-3-1-2-4-12(11)10-25/h1-4,7-8,26H,5-6,9-10H2,(H,23,24)
InChIKeyFTCBHXVGDPDUGJ-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.92
Rot. Bonds3

About 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone

1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone (PubChem CID 140554831) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
PubChem CID140554831
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
SMILESO=C(c1cc2c(CCC(F)(F)F)n[nH]c2cc1O)N1Cc2ccccc2C1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)6-5-15-13-7-14(17(26)8-16(13)24-23-15)18(27)25-9-11-3-1-2-4-12(11)10-25/h1-4,7-8,26H,5-6,9-10H2,(H,23,24)
InChIKeyFTCBHXVGDPDUGJ-UHFFFAOYSA-N
XLogP3.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554941
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554815
1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158135667
[3-[(4,4-dimethyl-5H-1,3-oxazol-2-yl)methyl]-6-hydroxy-1H-indazol-5-yl]-(5-fluoro-1,3-dihydroisoindol-2-yl)methanone
CID 140554904
1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
1-[[6-hydroxy-5-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 162311413
[3-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 135959853
[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
CID 154063847

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone (CID 140554831) is 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone is O=C(c1cc2c(CCC(F)(F)F)n[nH]c2cc1O)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone?
The InChIKey is FTCBHXVGDPDUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)6-5-15-13-7-14(17(26)8-16(13)24-23-15)18(27)25-9-11-3-1-2-4-12(11)10-25/h1-4,7-8,26H,5-6,9-10H2,(H,23,24).
What are the key properties of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone?
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone has a molecular weight of 375.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone is sourced from PubChem (CID 140554831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).