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

C25H29N7O3 — CID 71276503

IUPACN-[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
SMILESCC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H29N7O3/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/h4-5,10,14,28H,3,6-9,11-12H2,1-2H3,(H,27,34)(H3,26,29,30,31)
InChIKeyIWVIJPPFZOYHFR-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.55
Rot. Bonds3

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

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 (PubChem CID 71276503) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 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.

Molecular Properties

Compound NameN-[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
PubChem CID71276503
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC NameN-[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
SMILESCC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H29N7O3/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/h4-5,10,14,28H,3,6-9,11-12H2,1-2H3,(H,27,34)(H3,26,29,30,31)
InChIKeyIWVIJPPFZOYHFR-UHFFFAOYSA-N
XLogP2.55
TPSA149.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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

Launch Full Analysis

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?
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 (CID 71276503) 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.
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?
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 is CC1(C)CC2(CCC2)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O.
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?
The InChIKey is IWVIJPPFZOYHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/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/h4-5,10,14,28H,3,6-9,11-12H2,1-2H3,(H,27,34)(H3,26,29,30,31).
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?
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 has a molecular weight of 475.55 g/mol, XLogP of 2.55, 3 rotatable bonds, 4 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 71276503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).