5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

C20H19FN4O2 — CID 72714972

IUPAC5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESCc1nc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H19FN4O2/c1-14-16(21)8-9-18(22-14)24-10-5-11-25-17(20(24)26)12-19(23-25)27-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyRQWPWUZOMRBSGD-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.36
Rot. Bonds4

About 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one

5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (PubChem CID 72714972) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.

Molecular Properties

Compound Name5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
PubChem CID72714972
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one
SMILESCc1nc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)ccc1F
InChIInChI=1S/C20H19FN4O2/c1-14-16(21)8-9-18(22-14)24-10-5-11-25-17(20(24)26)12-19(23-25)27-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyRQWPWUZOMRBSGD-UHFFFAOYSA-N
XLogP3.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The IUPAC name of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one (CID 72714972) is 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one.
What is the SMILES notation for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The canonical SMILES for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is Cc1nc(N2CCCn3nc(OCc4ccccc4)cc3C2=O)ccc1F.
What is the InChIKey of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
The InChIKey is RQWPWUZOMRBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14-16(21)8-9-18(22-14)24-10-5-11-25-17(20(24)26)12-19(23-25)27-13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one?
5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-6-methyl-2-pyridinyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one is sourced from PubChem (CID 72714972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).