3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C22H18N6O3S — CID 56535703

IUPAC3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C22H18N6O3S/c29-17(12-28-13-24-18-14-4-1-2-6-16(14)31-19(18)21(28)30)26-8-10-27(11-9-26)22-25-15-5-3-7-23-20(15)32-22/h1-7,13H,8-12H2
InChIKeyVPNULGONTPWDTO-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.50
Rot. Bonds3

About 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 56535703) has the molecular formula C22H18N6O3S and a molecular weight of 446.49 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID56535703
Molecular FormulaC22H18N6O3S
Molecular Weight446.49 g/mol
Exact Mass446.12
IUPAC Name3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2nc3cccnc3s2)CC1
InChIInChI=1S/C22H18N6O3S/c29-17(12-28-13-24-18-14-4-1-2-6-16(14)31-19(18)21(28)30)26-8-10-27(11-9-26)22-25-15-5-3-7-23-20(15)32-22/h1-7,13H,8-12H2
InChIKeyVPNULGONTPWDTO-UHFFFAOYSA-N
XLogP2.50
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119375446
3-[2-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 37399519
3-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119545425
3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 41193739
3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 119541004
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one;hydrochloride
CID 119380116
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethanone
CID 56551398
tert-butyl N-[1-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]piperidin-4-yl]carbamate
CID 55736228
3-(4-chlorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535604
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 53111734
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]acetamide
CID 55962807
3-(4-fluorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535575

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 56535703) is 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2nc3cccnc3s2)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is VPNULGONTPWDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3S/c29-17(12-28-13-24-18-14-4-1-2-6-16(14)31-19(18)21(28)30)26-8-10-27(11-9-26)22-25-15-5-3-7-23-20(15)32-22/h1-7,13H,8-12H2.
What are the key properties of 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 446.49 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 56535703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).