5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide

C26H27N7O2 — CID 171682178

IUPAC5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC1CCC2(CC1)CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2
InChIInChI=1S/C26H27N7O2/c1-16-22(31-32-28-16)24(34)27-19-9-11-26(12-10-19)14-33(15-26)25(35)23-20-8-7-18(13-21(20)29-30-23)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,27,34)(H,29,30)(H,28,31,32)
InChIKeyFTJILZJTVVVNRF-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.47
Rot. Bonds4

About 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide

5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide (PubChem CID 171682178) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide
PubChem CID171682178
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC1CCC2(CC1)CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2
InChIInChI=1S/C26H27N7O2/c1-16-22(31-32-28-16)24(34)27-19-9-11-26(12-10-19)14-33(15-26)25(35)23-20-8-7-18(13-21(20)29-30-23)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,27,34)(H,29,30)(H,28,31,32)
InChIKeyFTJILZJTVVVNRF-UHFFFAOYSA-N
XLogP3.47
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl-[2-(6-phenyl-1H-indazole-3-carbonyl)-2,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 171698365
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-phenyl-1H-indazole-3-carboxamide
CID 10363115
6-phenyl-1H-indazole-3-carboxylic acid
CID 74892779
2,7-diazaspiro[3.5]nonan-2-yl(1H-indazol-3-yl)methanone
CID 166081618
N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123390295
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-(6-phenyl-1H-indazol-3-yl)ethanone;formic acid
CID 123277563
N-methyl-6-[6-methyl-5-[[(1S,3R)-3-phenylcyclopentyl]carbamoyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 166041463
N-(6-phenyl-1H-indazol-3-yl)cyclohexanecarboxamide
CID 69063558

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide (CID 171682178) is 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NC1CCC2(CC1)CN(C(=O)c1n[nH]c3cc(-c4ccccc4)ccc13)C2.
What is the InChIKey of 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide?
The InChIKey is FTJILZJTVVVNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-16-22(31-32-28-16)24(34)27-19-9-11-26(12-10-19)14-33(15-26)25(35)23-20-8-7-18(13-21(20)29-30-23)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3,(H,27,34)(H,29,30)(H,28,31,32).
What are the key properties of 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide?
5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(6-phenyl-1H-indazole-3-carbonyl)-2-azaspiro[3.5]nonan-7-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 171682178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).