[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone

C20H21N3O2 — CID 154063847

IUPAC[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N4CCCC4)cc23)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-4-6-14(9-13)10-17-15-11-16(19(24)12-18(15)22-21-17)20(25)23-7-2-3-8-23/h4-6,9,11-12,24H,2-3,7-8,10H2,1H3,(H,21,22)
InChIKeyOIJLBOBBPRLXMF-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.40
Rot. Bonds3

About [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone

[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154063847) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID154063847
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N4CCCC4)cc23)c1
InChIInChI=1S/C20H21N3O2/c1-13-5-4-6-14(9-13)10-17-15-11-16(19(24)12-18(15)22-21-17)20(25)23-7-2-3-8-23/h4-6,9,11-12,24H,2-3,7-8,10H2,1H3,(H,21,22)
InChIKeyOIJLBOBBPRLXMF-UHFFFAOYSA-N
XLogP3.40
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 140554860
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
CID 140554893
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
1-[[5-(1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158135667
4-[[4-fluoro-3-[4-(3-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 130438659
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(3,3,3-trifluoropropyl)-1H-indazol-5-yl]methanone
CID 140554831
1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554815
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
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-[(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
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone (CID 154063847) is [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N4CCCC4)cc23)c1.
What is the InChIKey of [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OIJLBOBBPRLXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-5-4-6-14(9-13)10-17-15-11-16(19(24)12-18(15)22-21-17)20(25)23-7-2-3-8-23/h4-6,9,11-12,24H,2-3,7-8,10H2,1H3,(H,21,22).
What are the key properties of [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone?
[6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 335.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-3-[(3-methylphenyl)methyl]-1H-indazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154063847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).