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

C24H20N4O — CID 134309460

IUPAC(4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESC[C@@H]1N=C(c2ccccn2)c2cc(C3CC3)ccc2-n2cnc(-c3ccco3)c21
InChIInChI=1S/C24H20N4O/c1-15-24-23(21-6-4-12-29-21)26-14-28(24)20-10-9-17(16-7-8-16)13-18(20)22(27-15)19-5-2-3-11-25-19/h2-6,9-16H,7-8H2,1H3/t15-/m0/s1
InChIKeyDEMUZAKXLRLYPE-HNNXBMFYSA-N
MW380.45 g/mol
LogP5.32
Rot. Bonds3

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

(4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (PubChem CID 134309460) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name(4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
PubChem CID134309460
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name(4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine
SMILESC[C@@H]1N=C(c2ccccn2)c2cc(C3CC3)ccc2-n2cnc(-c3ccco3)c21
InChIInChI=1S/C24H20N4O/c1-15-24-23(21-6-4-12-29-21)26-14-28(24)20-10-9-17(16-7-8-16)13-18(20)22(27-15)19-5-2-3-11-25-19/h2-6,9-16H,7-8H2,1H3/t15-/m0/s1
InChIKeyDEMUZAKXLRLYPE-HNNXBMFYSA-N
XLogP5.32
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The IUPAC name of (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine (CID 134309460) is (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is C[C@@H]1N=C(c2ccccn2)c2cc(C3CC3)ccc2-n2cnc(-c3ccco3)c21.
What is the InChIKey of (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
The InChIKey is DEMUZAKXLRLYPE-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-15-24-23(21-6-4-12-29-21)26-14-28(24)20-10-9-17(16-7-8-16)13-18(20)22(27-15)19-5-2-3-11-25-19/h2-6,9-16H,7-8H2,1H3/t15-/m0/s1.
What are the key properties of (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine?
(4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine has a molecular weight of 380.45 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-cyclopropyl-3-(furan-2-yl)-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 134309460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).