N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane

C27H37N7O4 — CID 144535052

IUPACN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane
SMILESCC.COCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H31N7O4.C2H6/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20;1-2/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31);1-2H3
InChIKeyILSWEBLAEGGGGX-UHFFFAOYSA-N
MW523.64 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane

N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane (PubChem CID 144535052) has the molecular formula C27H37N7O4 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane
PubChem CID144535052
Molecular FormulaC27H37N7O4
Molecular Weight523.64 g/mol
Exact Mass523.29
IUPAC NameN-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane
SMILESCC.COCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5nc(N)n[nH]5)C4)cc23)C1=O
InChIInChI=1S/C25H31N7O4.C2H6/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20;1-2/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31);1-2H3
InChIKeyILSWEBLAEGGGGX-UHFFFAOYSA-N
XLogP3.06
TPSA159.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane with MolForge

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Related Compounds

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(5-phenyl-1H-1,2,4-triazol-3-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
CID 90453720
(5-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128985110
(4-fluoro-1H-indol-2-yl)-[(2S,4R)-4-methoxy-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128985136
5-tert-butyl-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-indole-2-carboxamide
CID 145898755
N-[(3R,4R)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)oxolan-3-yl]-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 146113522
(6-fluoro-4-methyl-1H-indol-2-yl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 166186119
5,5-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-7,1'-cyclopropane]-3-carboxamide
CID 71276413
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-6-oxospiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
CID 71276417
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide
CID 71276484
7,7-dimethyl-8-oxo-N-[1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]spiro[6,9-dihydrocarbazole-5,1'-cyclobutane]-3-carboxamide
CID 71276500
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
5,5,7,7-tetramethyl-8-oxo-N-[1-(1-propan-2-yl-1,2,4-triazole-3-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
CID 117705558

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane?
The IUPAC name of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane (CID 144535052) is N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane.
What is the SMILES notation for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane?
The canonical SMILES for N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane is CC.COCC1(C)CC(C)(C)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-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane?
The InChIKey is ILSWEBLAEGGGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O4.C2H6/c1-24(2)11-25(3,12-36-4)19(33)18-17(24)15-9-13(5-6-16(15)28-18)21(34)27-14-7-8-32(10-14)22(35)20-29-23(26)31-30-20;1-2/h5-6,9,14,28H,7-8,10-12H2,1-4H3,(H,27,34)(H3,26,29,30,31);1-2H3.
What are the key properties of N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane?
N-[1-(3-amino-1H-1,2,4-triazole-5-carbonyl)pyrrolidin-3-yl]-7-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane has a molecular weight of 523.64 g/mol, XLogP of 3.06, 5 rotatable bonds, 4 hydrogen bond donors, and 7 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-(methoxymethyl)-5,5,7-trimethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;ethane is sourced from PubChem (CID 144535052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).