(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone

C20H21N3O2 — CID 173065697

IUPAC(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C20H21N3O2/c1-2-3-8-17-15-9-16(19(24)10-18(15)22-21-17)20(25)23-11-13-6-4-5-7-14(13)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,21,22)
InChIKeyGXOLYZXUUUZCFY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.77
Rot. Bonds4

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

(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 173065697) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID173065697
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C20H21N3O2/c1-2-3-8-17-15-9-16(19(24)10-18(15)22-21-17)20(25)23-11-13-6-4-5-7-14(13)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,21,22)
InChIKeyGXOLYZXUUUZCFY-UHFFFAOYSA-N
XLogP3.77
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554831
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-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
CID 136636153
[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
[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
[3-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136649997
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838

Frequently Asked Questions

What is the IUPAC name of (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 173065697) is (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone is CCCCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12.
What is the InChIKey of (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is GXOLYZXUUUZCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-3-8-17-15-9-16(19(24)10-18(15)22-21-17)20(25)23-11-13-6-4-5-7-14(13)12-23/h4-7,9-10,24H,2-3,8,11-12H2,1H3,(H,21,22).
What are the key properties of (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 173065697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).