2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C25H17N5O3 — CID 134050052

IUPAC2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C25H17N5O3/c31-20(14-29-15-26-22-17-10-4-5-11-18(17)33-23(22)25(29)32)28-24-21(16-8-2-1-3-9-16)27-19-12-6-7-13-30(19)24/h1-13,15H,14H2,(H,28,31)
InChIKeyAUHYVPRTKIIINB-UHFFFAOYSA-N
MW435.44 g/mol
LogP4.10
Rot. Bonds4

About 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 134050052) has the molecular formula C25H17N5O3 and a molecular weight of 435.44 g/mol. Its IUPAC name is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID134050052
Molecular FormulaC25H17N5O3
Molecular Weight435.44 g/mol
Exact Mass435.13
IUPAC Name2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESO=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C25H17N5O3/c31-20(14-29-15-26-22-17-10-4-5-11-18(17)33-23(22)25(29)32)28-24-21(16-8-2-1-3-9-16)27-19-12-6-7-13-30(19)24/h1-13,15H,14H2,(H,28,31)
InChIKeyAUHYVPRTKIIINB-UHFFFAOYSA-N
XLogP4.10
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-1-yl-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808260
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 55527065
N-(2-bromophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802170
N-(2-chlorophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 7802162
N-(5-chloro-2-pyridinyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 51250651
3-methyl-N-[4-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]phenyl]butanamide
CID 34597443
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 1261878
2-[[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]amino]thiophene-3-carboxamide
CID 17423737
N-(4-iodo-2-methylphenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 4808279
N-[4-(azepan-1-yl)phenyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 26817386
N-[2-(ethylamino)ethyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 119507744
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 4808372

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 134050052) is 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is AUHYVPRTKIIINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5O3/c31-20(14-29-15-26-22-17-10-4-5-11-18(17)33-23(22)25(29)32)28-24-21(16-8-2-1-3-9-16)27-19-12-6-7-13-30(19)24/h1-13,15H,14H2,(H,28,31).
What are the key properties of 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 435.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 134050052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).