1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

C26H23N5O — CID 57386007

IUPAC1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cccnn1)CC2
InChIInChI=1S/C26H23N5O/c32-25-26(11-14-30(15-12-26)18-20-7-5-13-28-29-20)22-8-2-4-10-24(22)31(25)21-16-19-6-1-3-9-23(19)27-17-21/h1-10,13,16-17H,11-12,14-15,18H2
InChIKeyINPWWKFMSKGNEX-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.24
Rot. Bonds3

About 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one

1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 57386007) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID57386007
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cccnn1)CC2
InChIInChI=1S/C26H23N5O/c32-25-26(11-14-30(15-12-26)18-20-7-5-13-28-29-20)22-8-2-4-10-24(22)31(25)21-16-19-6-1-3-9-23(19)27-17-21/h1-10,13,16-17H,11-12,14-15,18H2
InChIKeyINPWWKFMSKGNEX-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Linopirdine
CID 3932
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-phenylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 57384999
4-(4-Benzylpiperazine-1-carbonyl)-2-(pyridin-4-yl)quinoline
CID 4261993
3-[1-(3-Dimethylamino-propyl)-1H-indazol-3-yl]-4-(1-quinolin-3-yl-1H-indol-3-yl)-pyrrole-2,5-dione
CID 10302405
1'-[(3-Methyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
CID 25173259
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-pyridin-3-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173590
1'-[(3-Methyl-2-pyridinyl)methyl]-1-(4-pyridin-2-ylphenyl)spiro[indole-3,4'-piperidine]-2-one
CID 25173900
1-[(3-Methyl-2-pyridinyl)methyl]-1'-(4-phenylphenyl)spiro[piperidine-4,3'-pyrrolo[3,2-b]pyridine]-2'-one
CID 44514766
7-(aminomethyl)-2-(2-(quinolin-3-yl)pyridin-4-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 54582534
1'-[(3-Cyclopropyl-2-pyridinyl)methyl]-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one
CID 57386265
1-[(2R)-2-methyl-4-(4-methyl-3-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
CID 162666311
4,5-Dihydrocanthin-6-one
CID 76316632

Frequently Asked Questions

What is the IUPAC name of 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one (CID 57386007) is 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2cnc3ccccc3c2)c2ccccc2C12CCN(Cc1cccnn1)CC2.
What is the InChIKey of 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is INPWWKFMSKGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c32-25-26(11-14-30(15-12-26)18-20-7-5-13-28-29-20)22-8-2-4-10-24(22)31(25)21-16-19-6-1-3-9-23(19)27-17-21/h1-10,13,16-17H,11-12,14-15,18H2.
What are the key properties of 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 421.50 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(pyridazin-3-ylmethyl)-1-quinolin-3-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 57386007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).