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

C18H17N3O3 — CID 140554893

IUPAC1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
SMILESCOCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C18H17N3O3/c1-24-10-16-13-6-14(17(22)7-15(13)19-20-16)18(23)21-8-11-4-2-3-5-12(11)9-21/h2-7,22H,8-10H2,1H3,(H,19,20)
InChIKeyLQSKVCVDLDUOEQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.57
Rot. Bonds3

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

1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone (PubChem CID 140554893) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
PubChem CID140554893
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone
SMILESCOCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12
InChIInChI=1S/C18H17N3O3/c1-24-10-16-13-6-14(17(22)7-15(13)19-20-16)18(23)21-8-11-4-2-3-5-12(11)9-21/h2-7,22H,8-10H2,1H3,(H,19,20)
InChIKeyLQSKVCVDLDUOEQ-UHFFFAOYSA-N
XLogP2.57
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944
(3-butyl-6-hydroxy-1H-indazol-5-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 173065697
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-(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-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
[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
1,3-dihydroisoindol-2-yl-[2-hydroxy-4-(methoxymethyl)-5-propan-2-ylphenyl]methanone
CID 135223403
1-[[5-(5-bromo-1,3-dihydroisoindole-2-carbonyl)-6-hydroxy-1H-indazol-3-yl]methyl]piperidin-2-one
CID 158757357
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838
[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
[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]-[5-[2-(methylamino)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 159037650

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone (CID 140554893) is 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone is COCc1n[nH]c2cc(O)c(C(=O)N3Cc4ccccc4C3)cc12.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone?
The InChIKey is LQSKVCVDLDUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-24-10-16-13-6-14(17(22)7-15(13)19-20-16)18(23)21-8-11-4-2-3-5-12(11)9-21/h2-7,22H,8-10H2,1H3,(H,19,20).
What are the key properties of 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone?
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone has a molecular weight of 323.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(methoxymethyl)-1H-indazol-5-yl]methanone is sourced from PubChem (CID 140554893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).