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

C25H23N5O — CID 53246958

IUPAC2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESO=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C25H23N5O/c31-24-19-13-22(30-23(19)25(15-29-24)6-9-26-10-7-25)17-5-8-27-21(12-17)18-11-16-3-1-2-4-20(16)28-14-18/h1-5,8,11-14,26,30H,6-7,9-10,15H2,(H,29,31)
InChIKeyKRNHXVHNKBPQJX-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.66
Rot. Bonds2

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

2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (PubChem CID 53246958) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Name2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
PubChem CID53246958
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
SMILESO=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21
InChIInChI=1S/C25H23N5O/c31-24-19-13-22(30-23(19)25(15-29-24)6-9-26-10-7-25)17-5-8-27-21(12-17)18-11-16-3-1-2-4-20(16)28-14-18/h1-5,8,11-14,26,30H,6-7,9-10,15H2,(H,29,31)
InChIKeyKRNHXVHNKBPQJX-UHFFFAOYSA-N
XLogP3.66
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The IUPAC name of 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one (CID 53246958) is 2-(2-quinolin-3-yl-4-pyridinyl)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-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The canonical SMILES for 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is O=C1NCC2(CCNCC2)c2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21.
What is the InChIKey of 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
The InChIKey is KRNHXVHNKBPQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-24-19-13-22(30-23(19)25(15-29-24)6-9-26-10-7-25)17-5-8-27-21(12-17)18-11-16-3-1-2-4-20(16)28-14-18/h1-5,8,11-14,26,30H,6-7,9-10,15H2,(H,29,31).
What are the key properties of 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one?
2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one has a molecular weight of 409.49 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-3-yl-4-pyridinyl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one is sourced from PubChem (CID 53246958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).