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

C22H18FN5O2S — CID 137429826

IUPAC7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(c2cccc(F)c2)C1
InChIInChI=1S/C22H18FN5O2S/c23-14-5-3-4-13(10-14)17-11-28(9-8-25-17)22(30)15-12-31-19-18(15)26-20(27-21(19)29)16-6-1-2-7-24-16/h1-7,10,12,17,25H,8-9,11H2,(H,26,27,29)
InChIKeyODYJZBIBMACEPP-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.97
Rot. Bonds3

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

7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429826) has the molecular formula C22H18FN5O2S and a molecular weight of 435.48 g/mol. Its IUPAC name is 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429826
Molecular FormulaC22H18FN5O2S
Molecular Weight435.48 g/mol
Exact Mass435.12
IUPAC Name7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCNC(c2cccc(F)c2)C1
InChIInChI=1S/C22H18FN5O2S/c23-14-5-3-4-13(10-14)17-11-28(9-8-25-17)22(30)15-12-31-19-18(15)26-20(27-21(19)29)16-6-1-2-7-24-16/h1-7,10,12,17,25H,8-9,11H2,(H,26,27,29)
InChIKeyODYJZBIBMACEPP-UHFFFAOYSA-N
XLogP2.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-Ethyl-2-(Propan-2-Ylamino)-7-(Pyridin-3-Yl)thieno[3,2-D]pyrimidin-4(3h)-One
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6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
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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
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CID 42606221
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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429826) is 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[3-(3-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)N1CCNC(c2cccc(F)c2)C1.
What is the InChIKey of 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ODYJZBIBMACEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2S/c23-14-5-3-4-13(10-14)17-11-28(9-8-25-17)22(30)15-12-31-19-18(15)26-20(27-21(19)29)16-6-1-2-7-24-16/h1-7,10,12,17,25H,8-9,11H2,(H,26,27,29).
What are the key properties of 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[3-(3-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 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-fluorophenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).