2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

C19H19N5O5 — CID 8023929

IUPAC2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESN#Cc1c2n(c(=O)n(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c1=O)CCC2
InChIInChI=1S/C19H19N5O5/c20-11-13-14-3-1-5-23(14)19(28)24(17(13)26)12-16(25)21-6-8-22(9-7-21)18(27)15-4-2-10-29-15/h2,4,10H,1,3,5-9,12H2
InChIKeyBBANRPAGLFYEMD-UHFFFAOYSA-N
MW397.39 g/mol
LogP-0.59
Rot. Bonds3

About 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile

2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (PubChem CID 8023929) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
PubChem CID8023929
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
SMILESN#Cc1c2n(c(=O)n(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c1=O)CCC2
InChIInChI=1S/C19H19N5O5/c20-11-13-14-3-1-5-23(14)19(28)24(17(13)26)12-16(25)21-6-8-22(9-7-21)18(27)15-4-2-10-29-15/h2,4,10H,1,3,5-9,12H2
InChIKeyBBANRPAGLFYEMD-UHFFFAOYSA-N
XLogP-0.59
TPSA121.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
1-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 74239747
6-fluoro-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 113195390
2-(4-cyano-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-2-yl)-N-(3-methylphenyl)acetamide
CID 9355085
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione
CID 26680979
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile (CID 8023929) is 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is N#Cc1c2n(c(=O)n(CC(=O)N3CCN(C(=O)c4ccco4)CC3)c1=O)CCC2.
What is the InChIKey of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
The InChIKey is BBANRPAGLFYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c20-11-13-14-3-1-5-23(14)19(28)24(17(13)26)12-16(25)21-6-8-22(9-7-21)18(27)15-4-2-10-29-15/h2,4,10H,1,3,5-9,12H2.
What are the key properties of 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile?
2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile has a molecular weight of 397.39 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile is sourced from PubChem (CID 8023929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).