2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide

C25H30N8O4 — CID 18459789

IUPAC2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
SMILESCCCNC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)CC1C(=O)NCCC1=Cc2occc2OC1
InChIInChI=1S/C25H30N8O4/c1-2-6-29-25(35)33-12-11-31(22-4-8-28-24(30-22)32-10-9-26-17-32)15-19(33)23(34)27-7-3-18-14-21-20(37-16-18)5-13-36-21/h4-5,8-10,13-14,17,19H,2-3,6-7,11-12,15-16H2,1H3,(H,27,34)(H,29,35)
InChIKeyUETNZHXFIWZVMZ-UHFFFAOYSA-N
MW506.57 g/mol
LogP1.85
Rot. Bonds8

About 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide

2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide (PubChem CID 18459789) has the molecular formula C25H30N8O4 and a molecular weight of 506.57 g/mol. Its IUPAC name is 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
PubChem CID18459789
Molecular FormulaC25H30N8O4
Molecular Weight506.57 g/mol
Exact Mass506.24
IUPAC Name2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
SMILESCCCNC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)CC1C(=O)NCCC1=Cc2occc2OC1
InChIInChI=1S/C25H30N8O4/c1-2-6-29-25(35)33-12-11-31(22-4-8-28-24(30-22)32-10-9-26-17-32)15-19(33)23(34)27-7-3-18-14-21-20(37-16-18)5-13-36-21/h4-5,8-10,13-14,17,19H,2-3,6-7,11-12,15-16H2,1H3,(H,27,34)(H,29,35)
InChIKeyUETNZHXFIWZVMZ-UHFFFAOYSA-N
XLogP1.85
TPSA130.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
CID 22487617
2-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
CID 22560538
2-N-(2H-furo[3,2-b]pyran-6-ylmethyl)-4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide
CID 70146748
3-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,3-dicarboxamide
CID 69348166
1-N-(3,4-dichlorophenyl)-2-N-[(3,5-dimethoxyphenyl)methyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1,2-dicarboxamide
CID 22487842
benzyl 2-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-4-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazine-1-carboxylate
CID 22488287
2-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-[2-(1,3-benzodioxol-5-yl)ethyl]acetamide
CID 22488608
2-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-N-cyclohexyl-4-(2-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 22488400
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-(4-methoxybenzoyl)piperazin-2-yl]acetamide
CID 22560460
N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)-1-methylsulfonylpiperazin-2-yl]acetamide
CID 54000548
2-[2-[4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-2-[(4-ethoxyphenyl)methylcarbamoyl]piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 22488459
4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-1-N-cyclohexyl-2-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1,2-dicarboxamide
CID 22488796

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide (CID 18459789) is 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide is CCCNC(=O)N1CCN(c2ccnc(-n3ccnc3)n2)CC1C(=O)NCCC1=Cc2occc2OC1.
What is the InChIKey of 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide?
The InChIKey is UETNZHXFIWZVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O4/c1-2-6-29-25(35)33-12-11-31(22-4-8-28-24(30-22)32-10-9-26-17-32)15-19(33)23(34)27-7-3-18-14-21-20(37-16-18)5-13-36-21/h4-5,8-10,13-14,17,19H,2-3,6-7,11-12,15-16H2,1H3,(H,27,34)(H,29,35).
What are the key properties of 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide?
2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide has a molecular weight of 506.57 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(5H-furo[3,2-b]pyran-6-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)-1-N-propylpiperazine-1,2-dicarboxamide is sourced from PubChem (CID 18459789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).