2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

C33H33N5O7 — CID 121446097

IUPAC2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCOC[C@@H](C)n1c(=O)c(-c2cccc(OC)c2OC)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)c1=O
InChIInChI=1S/C33H33N5O7/c1-19(18-43-2)38-30(40)24(23-7-5-9-26(44-3)28(23)45-4)16-37(32(38)42)17-27(39)35-22-11-10-20-14-33(15-21(20)13-22)25-8-6-12-34-29(25)36-31(33)41/h5-13,16,19H,14-15,17-18H2,1-4H3,(H,35,39)(H,34,36,41)/t19-,33-/m1/s1
InChIKeyOSWAIACNBWJMHM-AONNBLCTSA-N
MW611.66 g/mol
LogP2.92
Rot. Bonds9

About 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide

2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (PubChem CID 121446097) has the molecular formula C33H33N5O7 and a molecular weight of 611.66 g/mol. Its IUPAC name is 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.

Molecular Properties

Compound Name2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
PubChem CID121446097
Molecular FormulaC33H33N5O7
Molecular Weight611.66 g/mol
Exact Mass611.24
IUPAC Name2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
SMILESCOC[C@@H](C)n1c(=O)c(-c2cccc(OC)c2OC)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)c1=O
InChIInChI=1S/C33H33N5O7/c1-19(18-43-2)38-30(40)24(23-7-5-9-26(44-3)28(23)45-4)16-37(32(38)42)17-27(39)35-22-11-10-20-14-33(15-21(20)13-22)25-8-6-12-34-29(25)36-31(33)41/h5-13,16,19H,14-15,17-18H2,1-4H3,(H,35,39)(H,34,36,41)/t19-,33-/m1/s1
InChIKeyOSWAIACNBWJMHM-AONNBLCTSA-N
XLogP2.92
TPSA142.78 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.66
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide with MolForge

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Related Compounds

5-[[2-[5-(2-chloro-3-methoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 146573746
2-(7-methoxy-2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11533571
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
2-[(6S)-6-(3-fluoro-4-methoxyphenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 25144663
5-[[2-[5-(2-chloro-3-fluorophenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]acetyl]amino]-N-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 155112497
2-(7-methyl-6-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-2-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11698614
2-[3-(3-methoxyphenyl)-5-oxo-8,11-dioxa-1,4-diazaspiro[5.6]dodecan-4-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 75302057
2-[2-(2-methylphenyl)-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553877
2-[(6S)-6-(2,6-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-[(2S)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 45485692
2-(7-acetamido-1-formylindol-3-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 143201119
2-[(5S)-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 11712166
2-[(6R)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperazin-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 25144931

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The IUPAC name of 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide (CID 121446097) is 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide.
What is the SMILES notation for 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The canonical SMILES for 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is COC[C@@H](C)n1c(=O)c(-c2cccc(OC)c2OC)cn(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)c1=O.
What is the InChIKey of 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
The InChIKey is OSWAIACNBWJMHM-AONNBLCTSA-N. The full InChI is InChI=1S/C33H33N5O7/c1-19(18-43-2)38-30(40)24(23-7-5-9-26(44-3)28(23)45-4)16-37(32(38)42)17-27(39)35-22-11-10-20-14-33(15-21(20)13-22)25-8-6-12-34-29(25)36-31(33)41/h5-13,16,19H,14-15,17-18H2,1-4H3,(H,35,39)(H,34,36,41)/t19-,33-/m1/s1.
What are the key properties of 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide?
2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide has a molecular weight of 611.66 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethoxyphenyl)-3-[(2R)-1-methoxypropan-2-yl]-2,4-dioxopyrimidin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide is sourced from PubChem (CID 121446097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).