5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C24H22FN3O2 — CID 154688256

IUPAC5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(NCc1ccco1)N1CCc2c(c3ccccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C24H22FN3O2/c25-18-6-3-5-17(13-18)15-28-22-9-2-1-8-20(22)21-16-27(11-10-23(21)28)24(29)26-14-19-7-4-12-30-19/h1-9,12-13H,10-11,14-16H2,(H,26,29)
InChIKeyAUSBWJKSMOVPRJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.69
Rot. Bonds4

About 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 154688256) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID154688256
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(NCc1ccco1)N1CCc2c(c3ccccc3n2Cc2cccc(F)c2)C1
InChIInChI=1S/C24H22FN3O2/c25-18-6-3-5-17(13-18)15-28-22-9-2-1-8-20(22)21-16-27(11-10-23(21)28)24(29)26-14-19-7-4-12-30-19/h1-9,12-13H,10-11,14-16H2,(H,26,29)
InChIKeyAUSBWJKSMOVPRJ-UHFFFAOYSA-N
XLogP4.69
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688196
1-[(3-fluorophenyl)methyl]-3-[(furan-2-ylmethylamino)methyl]indole-2-carboxylic acid
CID 53208412
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688280
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16645751
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945
6-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)furo[2,3-b]pyrrole-5-carboxamide
CID 42797139
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
N-[(3-fluorophenyl)methyl]-3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]benzamide
CID 46055934
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 6502316
3-[[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 110946606
9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid
CID 90878202

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 154688256) is 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is O=C(NCc1ccco1)N1CCc2c(c3ccccc3n2Cc2cccc(F)c2)C1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is AUSBWJKSMOVPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-18-6-3-5-17(13-18)15-28-22-9-2-1-8-20(22)21-16-27(11-10-23(21)28)24(29)26-14-19-7-4-12-30-19/h1-9,12-13H,10-11,14-16H2,(H,26,29).
What are the key properties of 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 154688256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).