5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide

C20H22N4O2 — CID 78866464

IUPAC5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3C)c2c1
InChIInChI=1S/C20H22N4O2/c1-13-3-5-18-16(11-13)19(23-22-18)20(25)21-17-6-4-15(12-14(17)2)24-7-9-26-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyVCQZRHSTMQEMPT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.27
Rot. Bonds3

About 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide

5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide (PubChem CID 78866464) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
PubChem CID78866464
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3C)c2c1
InChIInChI=1S/C20H22N4O2/c1-13-3-5-18-16(11-13)19(23-22-18)20(25)21-17-6-4-15(12-14(17)2)24-7-9-26-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyVCQZRHSTMQEMPT-UHFFFAOYSA-N
XLogP3.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 78878139
5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide
CID 78902171
4-bromo-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-pyrrole-2-carboxamide
CID 55620636
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858960
6-methyl-2-(methylamino)-N-(2-methyl-4-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 136539683
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)-1H-indazole-3-carboxamide
CID 78858995

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide (CID 78866464) is 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)Nc3ccc(N4CCOCC4)cc3C)c2c1.
What is the InChIKey of 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is VCQZRHSTMQEMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-3-5-18-16(11-13)19(23-22-18)20(25)21-17-6-4-15(12-14(17)2)24-7-9-26-10-8-24/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide?
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 78866464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).