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

C24H21N5O — CID 54580537

IUPAC2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
SMILESO=C1NCC2(CCCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)n3)cc21
InChIInChI=1S/C24H21N5O/c30-23-17-12-20(28-21(17)24(14-27-23)8-3-4-9-24)19-7-10-25-22(29-19)16-11-15-5-1-2-6-18(15)26-13-16/h1-2,5-7,10-13,28H,3-4,8-9,14H2,(H,27,30)
InChIKeyQQKYFJMFTLSOKW-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.24
Rot. Bonds2

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

2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one (PubChem CID 54580537) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
PubChem CID54580537
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one
SMILESO=C1NCC2(CCCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)n3)cc21
InChIInChI=1S/C24H21N5O/c30-23-17-12-20(28-21(17)24(14-27-23)8-3-4-9-24)19-7-10-25-22(29-19)16-11-15-5-1-2-6-18(15)26-13-16/h1-2,5-7,10-13,28H,3-4,8-9,14H2,(H,27,30)
InChIKeyQQKYFJMFTLSOKW-UHFFFAOYSA-N
XLogP4.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-7,1'-cyclopentane]-4-one?
The IUPAC name of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one (CID 54580537) is 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-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-7,1'-cyclopentane]-4-one?
The canonical SMILES for 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one is O=C1NCC2(CCCC2)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-7,1'-cyclopentane]-4-one?
The InChIKey is QQKYFJMFTLSOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c30-23-17-12-20(28-21(17)24(14-27-23)8-3-4-9-24)19-7-10-25-22(29-19)16-11-15-5-1-2-6-18(15)26-13-16/h1-2,5-7,10-13,28H,3-4,8-9,14H2,(H,27,30).
What are the key properties of 2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one?
2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,1'-cyclopentane]-4-one has a molecular weight of 395.47 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 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-7,1'-cyclopentane]-4-one is sourced from PubChem (CID 54580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).