5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide

C20H22N4OS — CID 78902171

IUPAC5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2c1
InChIInChI=1S/C20H22N4OS/c1-14-2-7-18-17(12-14)19(23-22-18)20(25)21-13-15-3-5-16(6-4-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEGWWXHOKNQQQL-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide

5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 78902171) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID78902171
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2c1
InChIInChI=1S/C20H22N4OS/c1-14-2-7-18-17(12-14)19(23-22-18)20(25)21-13-15-3-5-16(6-4-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23)
InChIKeyYEGWWXHOKNQQQL-UHFFFAOYSA-N
XLogP3.35
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 78859139
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
(4-thiomorpholin-4-ylphenyl)methylcarbamic acid
CID 66632617
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 78878139
5-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 78866292
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide (CID 78902171) is 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2c1.
What is the InChIKey of 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is YEGWWXHOKNQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-2-7-18-17(12-14)19(23-22-18)20(25)21-13-15-3-5-16(6-4-15)24-8-10-26-11-9-24/h2-7,12H,8-11,13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide?
5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-thiomorpholin-4-ylphenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 78902171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).