5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid

C25H26N4O4 — CID 135102953

IUPAC5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C25H26N4O4/c30-21(26-14-19-7-8-20(33-19)24(31)32)15-29-12-4-10-25(16-29)11-9-18-13-27-23(28-22(18)25)17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,26,30)(H,31,32)
InChIKeyRRKLFWUFOBFYLG-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.03
Rot. Bonds6

About 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid

5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 135102953) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid
PubChem CID135102953
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(CN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)NCc1ccc(C(=O)O)o1
InChIInChI=1S/C25H26N4O4/c30-21(26-14-19-7-8-20(33-19)24(31)32)15-29-12-4-10-25(16-29)11-9-18-13-27-23(28-22(18)25)17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,26,30)(H,31,32)
InChIKeyRRKLFWUFOBFYLG-UHFFFAOYSA-N
XLogP3.03
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1'-[(5-methylfuran-2-yl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135089616
1'-ethyl-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135095074
(1-methylcyclopropyl)-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135098601
5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 135120145
1'-(2-methylsulfonylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135114610
N-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]methanesulfonamide
CID 135106933
1-[2-oxo-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)ethyl]pyrimidin-2-one
CID 135120450
1'-(2-imidazol-1-ylethyl)-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135096180
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
5-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-carboxylic acid
CID 24909103
2-amino-2-methyl-1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one
CID 135098790
1'-[(5-methoxy-3-pyridinyl)methyl]-2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163316416

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid (CID 135102953) is 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid is O=C(CN1CCCC2(CCc3cnc(-c4ccccc4)nc32)C1)NCc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is RRKLFWUFOBFYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c30-21(26-14-19-7-8-20(33-19)24(31)32)15-29-12-4-10-25(16-29)11-9-18-13-27-23(28-22(18)25)17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,26,30)(H,31,32).
What are the key properties of 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid?
5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 446.51 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)acetyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 135102953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).