N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide

C51H61N13O7 — CID 157332956

About N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide

N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide (PubChem CID 157332956) has the molecular formula C51H61N13O7 and a molecular weight of 968.13 g/mol. Its IUPAC name is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide
• PubChem CID: 157332956
• Molecular Formula: C51H61N13O7
• Molecular Weight: 968.13 g/mol
• Exact Mass: 967.48
• IUPAC Name: N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide
• SMILES: CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O.Nc1n[nH]c(C(=O)O)n1
• InChI: InChI=1S/C25H29N7O3.C23H28N2O2.C3H4N4O2/c1-24(2)12-25(7-3-8-25)17-15-10-13(4-5-16(15)28-18(17)19(24)33)21(34)27-14-6-9-32(11-14)22(35)20-29-23(26)31-30-20;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;4-3-5-1(2(8)9)6-7-3/h4-5,10,14,28H,3,6-9,11-12H2,1-2H3,(H,27,34)(H3,26,29,30,31);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);(H,8,9)(H3,4,5,6,7)
• InChIKey: BFMSAVLUXXSXFF-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 316.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	968.13
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide?

The IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide (CID 157332956) is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide.

What is the SMILES notation for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide?

The canonical SMILES for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide is CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O.Nc1n[nH]c(C(=O)O)n1.

What is the InChIKey of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide?

The InChIKey is BFMSAVLUXXSXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3.C23H28N2O2.C3H4N4O2/c1-24(2)12-25(7-3-8-25)17-15-10-13(4-5-16(15)28-18(17)19(24)33)21(34)27-14-6-9-32(11-14)22(35)20-29-23(26)31-30-20;1-22(2)13-23(10-5-11-23)18-16-12-14(21(27)24-15-6-3-4-7-15)8-9-17(16)25-19(18)20(22)26;4-3-5-1(2(8)9)6-7-3/h4-5,10,14,28H,3,6-9,11-12H2,1-2H3,(H,27,34)(H3,26,29,30,31);8-9,12,15,25H,3-7,10-11,13H2,1-2H3,(H,24,27);(H,8,9)(H3,4,5,6,7).

What are the key properties of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide?

N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide has a molecular weight of 968.13 g/mol, XLogP of 6.51, 6 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide;3-amino-1H-1,2,4-triazole-5-carboxylic acid;N-cyclopentyl-7,7-dimethyl-8-oxospiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide is sourced from PubChem (CID 157332956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).