3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C24H23N5O5 — CID 41231476

IUPAC3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C24H23N5O5/c1-26-15-17(21(30)27-9-11-28(12-10-27)22(31)18-8-5-13-34-18)19-20(26)23(32)29(24(33)25-19)14-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,33)
InChIKeyUTBGPAPBJULDGT-UHFFFAOYSA-N
MW461.48 g/mol
LogP1.27
Rot. Bonds4

About 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 41231476) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID41231476
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21
InChIInChI=1S/C24H23N5O5/c1-26-15-17(21(30)27-9-11-28(12-10-27)22(31)18-8-5-13-34-18)19-20(26)23(32)29(24(33)25-19)14-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,33)
InChIKeyUTBGPAPBJULDGT-UHFFFAOYSA-N
XLogP1.27
TPSA113.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-(3-benzyl-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 41231447
3-benzyl-5-methyl-2,4-dioxo-N-(2-phenylethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231269
5-methyl-3-phenyl-7-(piperidine-1-carbonyl)-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 18568344
3-benzyl-N-(5-chloro-2-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369243
3-benzyl-N-(2-methoxy-5-methylphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 27369245
[4-(1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 844559
3-benzyl-N-(2,5-dimethoxyphenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231363
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
1-benzyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-6-methyl-3-nitroquinolin-2-one
CID 23543752
N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
CID 42164622
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 41231476) is 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is Cn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21.
What is the InChIKey of 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is UTBGPAPBJULDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-26-15-17(21(30)27-9-11-28(12-10-27)22(31)18-8-5-13-34-18)19-20(26)23(32)29(24(33)25-19)14-16-6-3-2-4-7-16/h2-8,13,15H,9-12,14H2,1H3,(H,25,33).
What are the key properties of 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 461.48 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-5-methyl-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 41231476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).