3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one

C25H20FN7O2 — CID 45498849

IUPAC3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H20FN7O2/c26-19-6-2-1-5-17(19)22-23-28-24(34)18-9-8-16(15-20(18)33(23)30-29-22)25(35)32-13-11-31(12-14-32)21-7-3-4-10-27-21/h1-10,15,30H,11-14H2
InChIKeySIZFHVBZMAXNEV-UHFFFAOYSA-N
MW469.48 g/mol
LogP2.73
Rot. Bonds3

About 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one

3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 45498849) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one
PubChem CID45498849
Molecular FormulaC25H20FN7O2
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC Name3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=C(c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H20FN7O2/c26-19-6-2-1-5-17(19)22-23-28-24(34)18-9-8-16(15-20(18)33(23)30-29-22)25(35)32-13-11-31(12-14-32)21-7-3-4-10-27-21/h1-10,15,30H,11-14H2
InChIKeySIZFHVBZMAXNEV-UHFFFAOYSA-N
XLogP2.73
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid
CID 50743179
3-(4-fluorophenyl)-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 45498856
3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757512
5-[(2-fluorophenyl)methyl]-11-oxo-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one
CID 20860904
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 3384637
(1,2-dimethylindol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 141181908
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652
(3-pyrazolidin-4-ylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 133108023
(11S)-5-ethyl-11-oxo-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one
CID 92663146

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one (CID 45498849) is 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one is O=C(c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The InChIKey is SIZFHVBZMAXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c26-19-6-2-1-5-17(19)22-23-28-24(34)18-9-8-16(15-20(18)33(23)30-29-22)25(35)32-13-11-31(12-14-32)21-7-3-4-10-27-21/h1-10,15,30H,11-14H2.
What are the key properties of 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one?
3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 469.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 45498849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).