8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine

C23H18N4O — CID 134309461

IUPAC8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(C2=NCc3c(-c4ccco4)ncn3-c3ccc(C4CC4)cc32)nc1
InChIInChI=1S/C23H18N4O/c1-2-10-24-18(4-1)22-17-12-16(15-6-7-15)8-9-19(17)27-14-26-23(20(27)13-25-22)21-5-3-11-28-21/h1-5,8-12,14-15H,6-7,13H2
InChIKeyPWUDKNUPJVIHLN-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.76
Rot. Bonds3

About 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine

8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 134309461) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID134309461
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC Name8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESc1ccc(C2=NCc3c(-c4ccco4)ncn3-c3ccc(C4CC4)cc32)nc1
InChIInChI=1S/C23H18N4O/c1-2-10-24-18(4-1)22-17-12-16(15-6-7-15)8-9-19(17)27-14-26-23(20(27)13-25-22)21-5-3-11-28-21/h1-5,8-12,14-15H,6-7,13H2
InChIKeyPWUDKNUPJVIHLN-UHFFFAOYSA-N
XLogP4.76
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 134309461) is 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is c1ccc(C2=NCc3c(-c4ccco4)ncn3-c3ccc(C4CC4)cc32)nc1.
What is the InChIKey of 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is PWUDKNUPJVIHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-2-10-24-18(4-1)22-17-12-16(15-6-7-15)8-9-19(17)27-14-26-23(20(27)13-25-22)21-5-3-11-28-21/h1-5,8-12,14-15H,6-7,13H2.
What are the key properties of 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 366.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3-(furan-2-yl)-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 134309461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).