6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide

C25H31N5O4 — CID 137316362

IUPAC6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H31N5O4/c1-16(2)15-28(3)25(33)23-19-13-20(22(31)14-21(19)26-27-23)24(32)29(4)17-5-7-18(8-6-17)30-9-11-34-12-10-30/h5-8,13-14,16,31H,9-12,15H2,1-4H3,(H,26,27)
InChIKeyWGOODDGVJPEWGA-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.11
Rot. Bonds6

About 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide

6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide (PubChem CID 137316362) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide.

Molecular Properties

Compound Name6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
PubChem CID137316362
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide
SMILESCC(C)CN(C)C(=O)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12
InChIInChI=1S/C25H31N5O4/c1-16(2)15-28(3)25(33)23-19-13-20(22(31)14-21(19)26-27-23)24(32)29(4)17-5-7-18(8-6-17)30-9-11-34-12-10-30/h5-8,13-14,16,31H,9-12,15H2,1-4H3,(H,26,27)
InChIKeyWGOODDGVJPEWGA-UHFFFAOYSA-N
XLogP3.11
TPSA102.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
[6-hydroxy-3-(2-methylpropyl)-2H-indazol-5-yl]-(5-morpholin-4-yl-1,3-dihydroisoindol-2-yl)methanone
CID 136641484
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
2-amino-N,N-dimethyl-4-morpholin-4-ylbenzamide
CID 58805152
4-(4-propan-2-yl-1H-indazol-6-yl)morpholine
CID 167286378
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107735760
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
N-methyl-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 64982701

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide?
The IUPAC name of 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide (CID 137316362) is 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide.
What is the SMILES notation for 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide?
The canonical SMILES for 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide is CC(C)CN(C)C(=O)c1n[nH]c2cc(O)c(C(=O)N(C)c3ccc(N4CCOCC4)cc3)cc12.
What is the InChIKey of 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide?
The InChIKey is WGOODDGVJPEWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-16(2)15-28(3)25(33)23-19-13-20(22(31)14-21(19)26-27-23)24(32)29(4)17-5-7-18(8-6-17)30-9-11-34-12-10-30/h5-8,13-14,16,31H,9-12,15H2,1-4H3,(H,26,27).
What are the key properties of 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide?
6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide has a molecular weight of 465.55 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-N,5-N-dimethyl-3-N-(2-methylpropyl)-5-N-(4-morpholin-4-ylphenyl)-1H-indazole-3,5-dicarboxamide is sourced from PubChem (CID 137316362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).