7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C22H18FN5O2S — CID 137429790

IUPAC7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H18FN5O2S/c23-14-4-6-15(7-5-14)27-9-11-28(12-10-27)22(30)16-13-31-19-18(16)25-20(26-21(19)29)17-3-1-2-8-24-17/h1-8,13H,9-12H2,(H,25,26,29)
InChIKeyCKKAAUKVXQOYDM-UHFFFAOYSA-N
MW435.48 g/mol
LogP3.15
Rot. Bonds3

About 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429790) has the molecular formula C22H18FN5O2S and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429790
Molecular FormulaC22H18FN5O2S
Molecular Weight435.48 g/mol
Exact Mass435.12
IUPAC Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H18FN5O2S/c23-14-4-6-15(7-5-14)27-9-11-28(12-10-27)22(30)16-13-31-19-18(16)25-20(26-21(19)29)17-3-1-2-8-24-17/h1-8,13H,9-12H2,(H,25,26,29)
InChIKeyCKKAAUKVXQOYDM-UHFFFAOYSA-N
XLogP3.15
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852940
Antimicrobial agent-21
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2101786
N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2458771
3-(2-Phenylethyl)-2-(1,3-thiazol-4-yl)-5-(trifluoromethyl)pyrido[4,3-d]pyrimidin-4-one
CID 24946598
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 42606221
2,5-dimethyl-4-oxo-3-{2-oxo-2-[(pyridin-3-ylmethyl)amino]ethyl}-N-(pyridin-3-ylmethyl)-3,4-dihydrothieno[3,4-d]pyrimidine-7-carboxamide
CID 659114
N-{4-[4-(2-thienylcarbonyl)-1-piperazinyl]phenyl}nicotinamide
CID 1289155
N,N-diethyl(5-methyl-4-oxo-2-(4-pyridyl)(3-hydrothiopheno[2,3-d]pyrimidin-6-yl))carboxamide
CID 2101789
2-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]thio}-3-(pyridin-2-ylmethyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3245743
N-(3-fluoro-4-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
CID 3457990

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429790) is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is CKKAAUKVXQOYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2S/c23-14-4-6-15(7-5-14)27-9-11-28(12-10-27)22(30)16-13-31-19-18(16)25-20(26-21(19)29)17-3-1-2-8-24-17/h1-8,13H,9-12H2,(H,25,26,29).
What are the key properties of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 435.48 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).