2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide

C23H23N5O2 — CID 123260370

IUPAC2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide
SMILESC=C1C2=C(C(=O)N1C1CC1)N(CC(=O)Nc1ccc(-c3cncnc3)cc1)CCC2
InChIInChI=1S/C23H23N5O2/c1-15-20-3-2-10-27(22(20)23(30)28(15)19-8-9-19)13-21(29)26-18-6-4-16(5-7-18)17-11-24-14-25-12-17/h4-7,11-12,14,19H,1-3,8-10,13H2,(H,26,29)
InChIKeyQXSTWCFXWPIMIX-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.95
Rot. Bonds5

About 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide

2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide (PubChem CID 123260370) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide
PubChem CID123260370
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide
SMILESC=C1C2=C(C(=O)N1C1CC1)N(CC(=O)Nc1ccc(-c3cncnc3)cc1)CCC2
InChIInChI=1S/C23H23N5O2/c1-15-20-3-2-10-27(22(20)23(30)28(15)19-8-9-19)13-21(29)26-18-6-4-16(5-7-18)17-11-24-14-25-12-17/h4-7,11-12,14,19H,1-3,8-10,13H2,(H,26,29)
InChIKeyQXSTWCFXWPIMIX-UHFFFAOYSA-N
XLogP2.95
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide with MolForge

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Related Compounds

2-(6-cyclopropyl-5-fluoro-5-methyl-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 118183114
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 118174114
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-methyl-6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118183158
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-2-ylphenyl)acetamide
CID 118174109
ethane;2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[5-methyl-6-(4-methylphenyl)-3-pyridinyl]acetamide
CID 144869172
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 122652940
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(3-methylphenyl)-3-pyridinyl]acetamide
CID 118174120
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
CID 118174168
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[(1E,3Z)-1,4-diamino-4-(6-methyl-3-pyridinyl)buta-1,3-dienyl]acetamide
CID 134357091
2-(5,7-dioxo-6-propan-2-yl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 144869142
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(2-methyl-3-pyridin-3-yl-1,2-dihydropyridin-6-yl)acetamide
CID 118183186

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide (CID 123260370) is 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide is C=C1C2=C(C(=O)N1C1CC1)N(CC(=O)Nc1ccc(-c3cncnc3)cc1)CCC2.
What is the InChIKey of 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide?
The InChIKey is QXSTWCFXWPIMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-15-20-3-2-10-27(22(20)23(30)28(15)19-8-9-19)13-21(29)26-18-6-4-16(5-7-18)17-11-24-14-25-12-17/h4-7,11-12,14,19H,1-3,8-10,13H2,(H,26,29).
What are the key properties of 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide?
2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-5-methylidene-7-oxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyrimidin-5-ylphenyl)acetamide is sourced from PubChem (CID 123260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).