N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C28H19FN4O2 — CID 155539998

IUPACN-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C28H19FN4O2/c29-17-11-9-16(10-12-17)14-31-28(35)24-13-20-18-5-2-4-8-23(18)32-25(20)26(33-24)27(34)21-15-30-22-7-3-1-6-19(21)22/h1-13,15,30,32H,14H2,(H,31,35)
InChIKeyWUWBPRILLQBYDQ-UHFFFAOYSA-N
MW462.48 g/mol
LogP5.50
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 155539998) has the molecular formula C28H19FN4O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID155539998
Molecular FormulaC28H19FN4O2
Molecular Weight462.48 g/mol
Exact Mass462.15
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C28H19FN4O2/c29-17-11-9-16(10-12-17)14-31-28(35)24-13-20-18-5-2-4-8-23(18)32-25(20)26(33-24)27(34)21-15-30-22-7-3-1-6-19(21)22/h1-13,15,30,32H,14H2,(H,31,35)
InChIKeyWUWBPRILLQBYDQ-UHFFFAOYSA-N
XLogP5.50
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 56933510
1-(4-fluorobenzoyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786469
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 170990325
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
methyl 1-[4-[(4-fluorophenyl)methylamino]phenyl]-9H-pyrido[3,4-b]indole-3-carboxylate
CID 169185947
1-(1-benzylindole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 156786470
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
N-hydroxy-4-[[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]methyl]benzamide
CID 86342534
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 155539998) is N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(C(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WUWBPRILLQBYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19FN4O2/c29-17-11-9-16(10-12-17)14-31-28(35)24-13-20-18-5-2-4-8-23(18)32-25(20)26(33-24)27(34)21-15-30-22-7-3-1-6-19(21)22/h1-13,15,30,32H,14H2,(H,31,35).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 155539998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).