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

C24H28N4O3 — CID 136641484

IUPAC[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(N5CCOCC5)cc4C3)cc12
InChIInChI=1S/C24H28N4O3/c1-15(2)9-21-19-11-20(23(29)12-22(19)26-25-21)24(30)28-13-16-3-4-18(10-17(16)14-28)27-5-7-31-8-6-27/h3-4,10-12,15,29H,5-9,13-14H2,1-2H3,(H,25,26)
InChIKeyDZTRQZCWYAPUCA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.46
Rot. Bonds4

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

[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone (PubChem CID 136641484) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
PubChem CID136641484
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
SMILESCC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(N5CCOCC5)cc4C3)cc12
InChIInChI=1S/C24H28N4O3/c1-15(2)9-21-19-11-20(23(29)12-22(19)26-25-21)24(30)28-13-16-3-4-18(10-17(16)14-28)27-5-7-31-8-6-27/h3-4,10-12,15,29H,5-9,13-14H2,1-2H3,(H,25,26)
InChIKeyDZTRQZCWYAPUCA-UHFFFAOYSA-N
XLogP3.46
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3-butyl-6-hydroxy-2H-indazol-5-yl)-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136649997
[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-[5-(2-morpholin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]methanone
CID 136656646
(2,4-dihydroxy-5-propan-2-ylphenyl)-(7-morpholin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 143655097
2-[6-hydroxy-3-(3-methylbutyl)-2H-indazole-5-carbonyl]-N-[2-(methylamino)ethyl]-1,3-dihydroisoindole-5-carboxamide
CID 136655916
[3-(cyclohexylmethyl)-6-hydroxy-2H-indazol-5-yl]-(1,3-dihydroisoindol-2-yl)methanone
CID 135959853
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-piperidin-1-ylphenyl)-1,3-dihydroisoindol-2-yl]methanone
CID 58246131
[5-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dihydroisoindol-2-yl]-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 143655168
[3-(cyclopentylmethyl)-6-hydroxy-2H-indazol-5-yl]-[5-[3-(dimethylamino)propoxy]-1,3-dihydroisoindol-2-yl]methanone
CID 135960018
(2,4-dihydroxy-5-propan-2-ylphenyl)-[8-(4-methylpiperazin-1-yl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]methanone
CID 143655111
6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
CID 137316362
3-(2-methylpropyl)-2H-indazol-6-ol
CID 136693478
1,3-dihydroisoindol-2-yl-[6-hydroxy-3-(propan-2-yloxymethyl)-1H-indazol-5-yl]methanone
CID 140554944

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone (CID 136641484) is [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone is CC(C)Cc1[nH]nc2cc(O)c(C(=O)N3Cc4ccc(N5CCOCC5)cc4C3)cc12.
What is the InChIKey of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is DZTRQZCWYAPUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15(2)9-21-19-11-20(23(29)12-22(19)26-25-21)24(30)28-13-16-3-4-18(10-17(16)14-28)27-5-7-31-8-6-27/h3-4,10-12,15,29H,5-9,13-14H2,1-2H3,(H,25,26).
What are the key properties of [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone?
[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 420.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 136641484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).