6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide

C25H23N7O2 — CID 155134882

IUPAC6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cc2n[nH]nc2cc1C(=O)Nc1ccc2[nH]nc(-c3cccc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C25H23N7O2/c1-15-11-22-23(29-31-28-22)14-19(15)25(33)26-17-5-6-21-20(13-17)24(30-27-21)16-3-2-4-18(12-16)32-7-9-34-10-8-32/h2-6,11-14H,7-10H2,1H3,(H,26,33)(H,27,30)(H,28,29,31)
InChIKeyNBJBCJSFGQCJDF-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.90
Rot. Bonds4

About 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide

6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide (PubChem CID 155134882) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide
PubChem CID155134882
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide
SMILESCc1cc2n[nH]nc2cc1C(=O)Nc1ccc2[nH]nc(-c3cccc(N4CCOCC4)c3)c2c1
InChIInChI=1S/C25H23N7O2/c1-15-11-22-23(29-31-28-22)14-19(15)25(33)26-17-5-6-21-20(13-17)24(30-27-21)16-3-2-4-18(12-16)32-7-9-34-10-8-32/h2-6,11-14H,7-10H2,1H3,(H,26,33)(H,27,30)(H,28,29,31)
InChIKeyNBJBCJSFGQCJDF-UHFFFAOYSA-N
XLogP3.90
TPSA111.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
CID 86710981
(2R)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-2-ylacetamide
CID 134567176
5-iodo-N-(4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 11744370
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
4-[3-(1H-indazol-6-ylcarbamoyl)phenyl]-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67371157
2,5-dichloro-N-(3-morpholin-4-ylphenyl)benzamide
CID 55952430
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-5-carboxylic acid
CID 39219781
5-methyl-N-(2-methyl-4-morpholin-4-ylphenyl)-1H-indazole-3-carboxamide
CID 78866464
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755
2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 70875056
3-methyl-6-(3-morpholin-4-ylphenyl)-N-phenylpyrazine-2-carboxamide
CID 91110077
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide (CID 155134882) is 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide is Cc1cc2n[nH]nc2cc1C(=O)Nc1ccc2[nH]nc(-c3cccc(N4CCOCC4)c3)c2c1.
What is the InChIKey of 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide?
The InChIKey is NBJBCJSFGQCJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15-11-22-23(29-31-28-22)14-19(15)25(33)26-17-5-6-21-20(13-17)24(30-27-21)16-3-2-4-18(12-16)32-7-9-34-10-8-32/h2-6,11-14H,7-10H2,1H3,(H,26,33)(H,27,30)(H,28,29,31).
What are the key properties of 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide?
6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide has a molecular weight of 453.51 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-(3-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 155134882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).