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

C20H20ClN3O2 — CID 136636153

IUPAC(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(Cl)cc4C3)cc12
InChIInChI=1S/C20H20ClN3O2/c1-2-3-4-17-15-8-16(19(25)9-18(15)23-22-17)20(26)24-10-12-5-6-14(21)7-13(12)11-24/h5-9,25H,2-4,10-11H2,1H3,(H,22,23)
InChIKeyOWEBNLXYYCNJGQ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.42
Rot. Bonds4

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

(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 136636153) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
PubChem CID136636153
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(Cl)cc4C3)cc12
InChIInChI=1S/C20H20ClN3O2/c1-2-3-4-17-15-8-16(19(25)9-18(15)23-22-17)20(26)24-10-12-5-6-14(21)7-13(12)11-24/h5-9,25H,2-4,10-11H2,1H3,(H,22,23)
InChIKeyOWEBNLXYYCNJGQ-UHFFFAOYSA-N
XLogP4.42
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137349251
3-benzyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630322
3-(3,3-dimethylbutyl)-6-hydroxy-N-methyl-N-[4-(1-methylpiperidin-4-yl)phenyl]-2H-indazole-5-carboxamide
CID 135567216
N-Benzyl-6-Hydroxy-N-Methyl-3-(3-Methylbenzyl)-1h-Indazole-5-Carboxamide
CID 135566719
N-[(4-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630303
6-hydroxy-N-[(4-methoxyphenyl)methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630304
N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630305
N-[(3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630306
N-[(4-chloro-3-fluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630307
3-benzyl-N-[(2-bromophenyl)methyl]-6-hydroxy-N-methyl-1H-indazole-5-carboxamide
CID 137630313
N-[(3,4-difluorophenyl)methyl]-6-hydroxy-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630318
6-hydroxy-N-[[3-(methanesulfonamido)phenyl]methyl]-N-methyl-3-[(3-methylphenyl)methyl]-1H-indazole-5-carboxamide
CID 137630319

Frequently Asked Questions

What is the IUPAC name of (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone (CID 136636153) is (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone is CCCCc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(Cl)cc4C3)cc12.
What is the InChIKey of (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is OWEBNLXYYCNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-3-4-17-15-8-16(19(25)9-18(15)23-22-17)20(26)24-10-12-5-6-14(21)7-13(12)11-24/h5-9,25H,2-4,10-11H2,1H3,(H,22,23).
What are the key properties of (3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone?
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 369.85 g/mol, XLogP of 4.42, 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-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 136636153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).