2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

C24H22N6O — CID 54587802

IUPAC2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESO=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)n3)cc21
InChIInChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)
InChIKeyMVYSDVQLMDMXOP-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.05
Rot. Bonds2

About 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one

2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (PubChem CID 54587802) has the molecular formula C24H22N6O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
PubChem CID54587802
Molecular FormulaC24H22N6O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESO=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)n3)cc21
InChIInChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31)
InChIKeyMVYSDVQLMDMXOP-UHFFFAOYSA-N
XLogP3.05
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The IUPAC name of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (CID 54587802) is 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.
What is the SMILES notation for 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)n3)cc21.
What is the InChIKey of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The InChIKey is MVYSDVQLMDMXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O/c31-23-17-12-20(29-21(17)24(14-28-23)6-9-25-10-7-24)19-5-8-26-22(30-19)16-11-15-3-1-2-4-18(15)27-13-16/h1-5,8,11-13,25,29H,6-7,9-10,14H2,(H,28,31).
What are the key properties of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one has a molecular weight of 410.48 g/mol, XLogP of 3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is sourced from PubChem (CID 54587802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).