2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

C24H23N5O2 — CID 54582875

IUPAC2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12
InChIInChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30)
InChIKeySVEWYPKFWQTITP-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.59
Rot. Bonds2

About 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (PubChem CID 54582875) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
PubChem CID54582875
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESCN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12
InChIInChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30)
InChIKeySVEWYPKFWQTITP-UHFFFAOYSA-N
XLogP3.59
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (CID 54582875) is 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(-c4cc5ccccc5o4)n3)[nH]c12.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The InChIKey is SVEWYPKFWQTITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-29-10-7-24(8-11-29)14-26-23(30)16-13-18(27-21(16)24)17-6-9-25-22(28-17)20-12-15-4-2-3-5-19(15)31-20/h2-6,9,12-13,27H,7-8,10-11,14H2,1H3,(H,26,30).
What are the key properties of 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one has a molecular weight of 413.48 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)pyrimidin-4-yl]-1'-methylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is sourced from PubChem (CID 54582875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).