2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide

C31H26ClFN4O4 — CID 157264130

IUPAC2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide
SMILESCC(C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Cc3ncccc32)c1=O
InChIInChI=1S/C31H26ClFN4O4/c1-17(2)37-29(40)22(21-5-3-7-24(33)28(21)32)15-36(30(37)41)16-27(39)35-20-9-8-18-13-31(14-19(18)11-20)23-6-4-10-34-25(23)12-26(31)38/h3-11,15,17H,12-14,16H2,1-2H3,(H,35,39)/t31-/m1/s1
InChIKeyAXUNCWONUHFYHQ-WJOKGBTCSA-N
MW573.02 g/mol
LogP4.25
Rot. Bonds5

About 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide

2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide (PubChem CID 157264130) has the molecular formula C31H26ClFN4O4 and a molecular weight of 573.02 g/mol. Its IUPAC name is 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide
PubChem CID157264130
Molecular FormulaC31H26ClFN4O4
Molecular Weight573.02 g/mol
Exact Mass572.16
IUPAC Name2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide
SMILESCC(C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Cc3ncccc32)c1=O
InChIInChI=1S/C31H26ClFN4O4/c1-17(2)37-29(40)22(21-5-3-7-24(33)28(21)32)15-36(30(37)41)16-27(39)35-20-9-8-18-13-31(14-19(18)11-20)23-6-4-10-34-25(23)12-26(31)38/h3-11,15,17H,12-14,16H2,1-2H3,(H,35,39)/t31-/m1/s1
InChIKeyAXUNCWONUHFYHQ-WJOKGBTCSA-N
XLogP4.25
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.02
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide (CID 157264130) is 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide.
What is the SMILES notation for 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide is CC(C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Cc3ncccc32)c1=O.
What is the InChIKey of 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide?
The InChIKey is AXUNCWONUHFYHQ-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H26ClFN4O4/c1-17(2)37-29(40)22(21-5-3-7-24(33)28(21)32)15-36(30(37)41)16-27(39)35-20-9-8-18-13-31(14-19(18)11-20)23-6-4-10-34-25(23)12-26(31)38/h3-11,15,17H,12-14,16H2,1-2H3,(H,35,39)/t31-/m1/s1.
What are the key properties of 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide?
2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide has a molecular weight of 573.02 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-3-fluorophenyl)-2,4-dioxo-3-propan-2-ylpyrimidin-1-yl]-N-[(2R)-6'-oxospiro[1,3-dihydroindene-2,5'-7H-cyclopenta[b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 157264130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).