N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide

C23H24FN5O — CID 51360938

IUPACN-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1
InChIInChI=1S/C23H24FN5O/c24-19-6-4-5-16(12-19)17-9-10-22-18(11-17)14-28(15-21-13-25-27-29(21)22)23(30)26-20-7-2-1-3-8-20/h4-6,9-13,20H,1-3,7-8,14-15H2,(H,26,30)
InChIKeyBGXZQYVQJHDKER-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.43
Rot. Bonds2

About N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide

N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide (PubChem CID 51360938) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
PubChem CID51360938
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide
SMILESO=C(NC1CCCCC1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1
InChIInChI=1S/C23H24FN5O/c24-19-6-4-5-16(12-19)17-9-10-22-18(11-17)14-28(15-21-13-25-27-29(21)22)23(30)26-20-7-2-1-3-8-20/h4-6,9-13,20H,1-3,7-8,14-15H2,(H,26,30)
InChIKeyBGXZQYVQJHDKER-UHFFFAOYSA-N
XLogP4.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The IUPAC name of N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide (CID 51360938) is N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide is O=C(NC1CCCCC1)N1Cc2cc(-c3cccc(F)c3)ccc2-n2nncc2C1.
What is the InChIKey of N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
The InChIKey is BGXZQYVQJHDKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c24-19-6-4-5-16(12-19)17-9-10-22-18(11-17)14-28(15-21-13-25-27-29(21)22)23(30)26-20-7-2-1-3-8-20/h4-6,9-13,20H,1-3,7-8,14-15H2,(H,26,30).
What are the key properties of N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide?
N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-(3-fluorophenyl)-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-5-carboxamide is sourced from PubChem (CID 51360938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).