5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

C24H25FN6O2 — CID 53007948

IUPAC5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25FN6O2/c25-19-7-5-18(6-8-19)17-30-10-3-11-31-21(24(30)33)16-20(27-31)23(32)29-14-12-28(13-15-29)22-4-1-2-9-26-22/h1-2,4-9,16H,3,10-15,17H2
InChIKeyVGPQRVHKORZREO-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.43
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (PubChem CID 53007948) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
PubChem CID53007948
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESO=C(c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H25FN6O2/c25-19-7-5-18(6-8-19)17-30-10-3-11-31-21(24(30)33)16-20(27-31)23(32)29-14-12-28(13-15-29)22-4-1-2-9-26-22/h1-2,4-9,16H,3,10-15,17H2
InChIKeyVGPQRVHKORZREO-UHFFFAOYSA-N
XLogP2.43
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (CID 53007948) is 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is O=C(c1cc2n(n1)CCCN(Cc1ccc(F)cc1)C2=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The InChIKey is VGPQRVHKORZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c25-19-7-5-18(6-8-19)17-30-10-3-11-31-21(24(30)33)16-20(27-31)23(32)29-14-12-28(13-15-29)22-4-1-2-9-26-22/h1-2,4-9,16H,3,10-15,17H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one has a molecular weight of 448.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is sourced from PubChem (CID 53007948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).