3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C22H17N5O — CID 17455951

IUPAC3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn[nH]c2-c2cccnc2)N1c1ccccc1
InChIInChI=1S/C22H17N5O/c28-22-17-10-4-5-11-19(17)25-21(27(22)16-8-2-1-3-9-16)18-14-24-26-20(18)15-7-6-12-23-13-15/h1-14,21,25H,(H,24,26)
InChIKeyUKOJPDVBSYRVRV-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.24
Rot. Bonds3

About 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 17455951) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID17455951
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn[nH]c2-c2cccnc2)N1c1ccccc1
InChIInChI=1S/C22H17N5O/c28-22-17-10-4-5-11-19(17)25-21(27(22)16-8-2-1-3-9-16)18-14-24-26-20(18)15-7-6-12-23-13-15/h1-14,21,25H,(H,24,26)
InChIKeyUKOJPDVBSYRVRV-UHFFFAOYSA-N
XLogP4.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 17455951) is 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cn[nH]c2-c2cccnc2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is UKOJPDVBSYRVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-17-10-4-5-11-19(17)25-21(27(22)16-8-2-1-3-9-16)18-14-24-26-20(18)15-7-6-12-23-13-15/h1-14,21,25H,(H,24,26).
What are the key properties of 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 367.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17455951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).