[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone

C26H32N4O4 — CID 136656646

IUPAC[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone
SMILESCC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(OCCN5CCOCC5)cc4C3)cc12
InChIInChI=1S/C26H32N4O4/c1-17(2)11-23-21-13-22(25(31)14-24(21)28-27-23)26(32)30-15-18-3-4-20(12-19(18)16-30)34-10-7-29-5-8-33-9-6-29/h3-4,12-14,17,31H,5-11,15-16H2,1-2H3,(H,27,28)
InChIKeyPZZQAPAFBUABHM-UHFFFAOYSA-N
MW464.57 g/mol
LogP3.33
Rot. Bonds7

About [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone

[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone (PubChem CID 136656646) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone.

Molecular Properties

Compound Name[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone
PubChem CID136656646
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Name[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone
SMILESCC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(OCCN5CCOCC5)cc4C3)cc12
InChIInChI=1S/C26H32N4O4/c1-17(2)11-23-21-13-22(25(31)14-24(21)28-27-23)26(32)30-15-18-3-4-20(12-19(18)16-30)34-10-7-29-5-8-33-9-6-29/h3-4,12-14,17,31H,5-11,15-16H2,1-2H3,(H,27,28)
InChIKeyPZZQAPAFBUABHM-UHFFFAOYSA-N
XLogP3.33
TPSA90.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-hydroxy-3-(propan-2-yloxymethyl)-2H-indazol-5-yl]-[5-[2-(4-methylpiperazin-1-yl)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 136636106
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136649997
[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]-[5-[2-(methylamino)ethoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 159037650
[5-[3-(dimethylamino)propoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(oxan-4-ylmethyl)-1H-indazol-5-yl]methanone
CID 154431320
2-[6-hydroxy-3-(3-methylbutyl)-2H-indazole-5-carbonyl]-N-[2-(methylamino)ethyl]-1,3-dihydroisoindole-5-carboxamide
CID 136655916
[5-hydroxy-4-[5-(3-morpholin-4-ylpropoxy)-1,3-dihydroisoindole-2-carbonyl]-2-propan-2-ylphenyl] 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylate
CID 137415096
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-chloro-1,3-dihydroisoindol-2-yl)methanone
CID 136636153
[3-(cyclopentylmethyl)-6-hydroxy-1H-indazol-5-yl]-[5-(2-methoxyethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 140554930
[5-[2-[ethyl(methyl)amino]ethoxy]-1,3-dihydroisoindol-2-yl]-[6-hydroxy-3-(piperidin-1-ylmethyl)-1H-indazol-5-yl]methanone
CID 140554838
[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 135959853
1-[[6-hydroxy-5-[5-[2-(propan-2-ylamino)ethoxy]-1,3-dihydroisoindole-2-carbonyl]-1H-indazol-3-yl]methyl]pyrrolidin-2-one
CID 140554861

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone?
The IUPAC name of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone (CID 136656646) is [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone.
What is the SMILES notation for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone?
The canonical SMILES for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone is CC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(OCCN5CCOCC5)cc4C3)cc12.
What is the InChIKey of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone?
The InChIKey is PZZQAPAFBUABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17(2)11-23-21-13-22(25(31)14-24(21)28-27-23)26(32)30-15-18-3-4-20(12-19(18)16-30)34-10-7-29-5-8-33-9-6-29/h3-4,12-14,17,31H,5-11,15-16H2,1-2H3,(H,27,28).
What are the key properties of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone?
[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone has a molecular weight of 464.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone is sourced from PubChem (CID 136656646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).