N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide

C55H63N7O7 — CID 157385690

IUPACN-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
SMILESCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1
InChIInChI=1S/C27H30N4O3.C22H28N2O2.C6H5NO2/c1-26(2)15-27(3,4)23(32)22-21(26)18-13-16(8-9-19(18)30-22)24(33)29-17-10-12-31(14-17)25(34)20-7-5-6-11-28-20;1-21(2)12-22(3,4)19(25)18-17(21)15-11-13(9-10-16(15)24-18)20(26)23-14-7-5-6-8-14;8-6(9)5-3-1-2-4-7-5/h5-9,11,13,17,30H,10,12,14-15H2,1-4H3,(H,29,33);9-11,14,24H,5-8,12H2,1-4H3,(H,23,26);1-4H,(H,8,9)
InChIKeyBLKAXOPSHPEZLW-UHFFFAOYSA-N
MW934.15 g/mol
LogP9.61
Rot. Bonds6

About N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide

N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide (PubChem CID 157385690) has the molecular formula C55H63N7O7 and a molecular weight of 934.15 g/mol. Its IUPAC name is N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
PubChem CID157385690
Molecular FormulaC55H63N7O7
Molecular Weight934.15 g/mol
Exact Mass933.48
IUPAC NameN-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide
SMILESCC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1
InChIInChI=1S/C27H30N4O3.C22H28N2O2.C6H5NO2/c1-26(2)15-27(3,4)23(32)22-21(26)18-13-16(8-9-19(18)30-22)24(33)29-17-10-12-31(14-17)25(34)20-7-5-6-11-28-20;1-21(2)12-22(3,4)19(25)18-17(21)15-11-13(9-10-16(15)24-18)20(26)23-14-7-5-6-8-14;8-6(9)5-3-1-2-4-7-5/h5-9,11,13,17,30H,10,12,14-15H2,1-4H3,(H,29,33);9-11,14,24H,5-8,12H2,1-4H3,(H,23,26);1-4H,(H,8,9)
InChIKeyBLKAXOPSHPEZLW-UHFFFAOYSA-N
XLogP9.61
TPSA207.31 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.15
LogP ≤ 59.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-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

Related Compounds

(3H)JB-93182
CID 9939572
4-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-pyridine-2-carboxylic acid methyl ester
CID 44341199
5-[[(2S)-2-[[5-(1-adamantylmethylcarbamoyl)-1H-indole-6-carbonyl]amino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylic acid
CID 10580234
4-(2-{(S)-2-[5-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-1,1-dimethyl-2-oxo-ethyl]-2-(3,5-dimethyl-phenyl)-1H-indol-3-yl]-propylamino}-ethyl)-pyridine-2-carboxylic acid
CID 44341186
5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
5-[[2-[(3-Cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71461068
5-[[1-[(3-Cyclopentyl-1-methyl-2-quinolin-6-ylindole-6-carbonyl)amino]cyclobutanecarbonyl]amino]-1-methylindole-2-carboxylic acid
CID 71462799
5-[[2-[(3-Cyclopentyl-1-methyl-2-quinolin-8-ylindole-6-carbonyl)amino]-2-methylpropanoyl]amino]-1-methylindole-2-carboxylic acid
CID 71462803
2-[2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]ethylcarbamoyl]-3-methyl-1H-indole-5-carboxylic acid;hydrochloride
CID 53358911
7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid
CID 166140213
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1S,4S)-5-(5-pyridin-4-yl-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]butan-2-yl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44624326
2-methyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid;3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 88438978

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide (CID 157385690) is N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide is CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCCC4)cc23)C1=O.CC1(C)CC(C)(C)c2c([nH]c3ccc(C(=O)NC4CCN(C(=O)c5ccccn5)C4)cc23)C1=O.O=C(O)c1ccccn1.
What is the InChIKey of N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?
The InChIKey is BLKAXOPSHPEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3.C22H28N2O2.C6H5NO2/c1-26(2)15-27(3,4)23(32)22-21(26)18-13-16(8-9-19(18)30-22)24(33)29-17-10-12-31(14-17)25(34)20-7-5-6-11-28-20;1-21(2)12-22(3,4)19(25)18-17(21)15-11-13(9-10-16(15)24-18)20(26)23-14-7-5-6-8-14;8-6(9)5-3-1-2-4-7-5/h5-9,11,13,17,30H,10,12,14-15H2,1-4H3,(H,29,33);9-11,14,24H,5-8,12H2,1-4H3,(H,23,26);1-4H,(H,8,9).
What are the key properties of N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide?
N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide has a molecular weight of 934.15 g/mol, XLogP of 9.61, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5,5,7,7-tetramethyl-8-oxo-6,9-dihydrocarbazole-3-carboxamide;pyridine-2-carboxylic acid;5,5,7,7-tetramethyl-8-oxo-N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-6,9-dihydrocarbazole-3-carboxamide is sourced from PubChem (CID 157385690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).