6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one

C24H25F2N3O3 — CID 149082420

IUPAC6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one
SMILESCn1ccc2c1N=C(CCCC(=O)N1CCC(C(=O)c3ccc(F)c(F)c3)CC1)CC2=O
InChIInChI=1S/C24H25F2N3O3/c1-28-10-9-18-21(30)14-17(27-24(18)28)3-2-4-22(31)29-11-7-15(8-12-29)23(32)16-5-6-19(25)20(26)13-16/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3
InChIKeyQQOWNBKPGUFPKO-UHFFFAOYSA-N
MW441.48 g/mol
LogP4.25
Rot. Bonds6

About 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one

6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one (PubChem CID 149082420) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one
PubChem CID149082420
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one
SMILESCn1ccc2c1N=C(CCCC(=O)N1CCC(C(=O)c3ccc(F)c(F)c3)CC1)CC2=O
InChIInChI=1S/C24H25F2N3O3/c1-28-10-9-18-21(30)14-17(27-24(18)28)3-2-4-22(31)29-11-7-15(8-12-29)23(32)16-5-6-19(25)20(26)13-16/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3
InChIKeyQQOWNBKPGUFPKO-UHFFFAOYSA-N
XLogP4.25
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136930790
1-(aziridin-1-yl)-5-(3,4-difluorophenyl)pentane-1,5-dione
CID 94270185
2-[4-[4-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136930831
7-fluoro-2-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 136929591
5-[4-(3,4-dichlorobenzoyl)piperidin-1-yl]-N,N-diethyl-5-oxopentanamide
CID 56520872
4-[methyl-[3-[4-(1-methylindazole-5-carbonyl)piperidin-1-yl]-3-oxopropyl]amino]benzoic acid
CID 175197906
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-3H-quinazolin-4-one
CID 136607500
6-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-3-methyl-8,9-dihydro-7H-pyrrolo[1,2-a]azocin-10-one
CID 123232203
1-[4-(2,4,6-trifluorobenzoyl)piperidin-1-yl]hexan-1-one
CID 56790869
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
6-fluoro-2-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-8-methyl-3H-quinazolin-4-one
CID 136607609

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one?
The IUPAC name of 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one (CID 149082420) is 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one?
The canonical SMILES for 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one is Cn1ccc2c1N=C(CCCC(=O)N1CCC(C(=O)c3ccc(F)c(F)c3)CC1)CC2=O.
What is the InChIKey of 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one?
The InChIKey is QQOWNBKPGUFPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-28-10-9-18-21(30)14-17(27-24(18)28)3-2-4-22(31)29-11-7-15(8-12-29)23(32)16-5-6-19(25)20(26)13-16/h5-6,9-10,13,15H,2-4,7-8,11-12,14H2,1H3.
What are the key properties of 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one?
6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one has a molecular weight of 441.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(3,4-difluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-1-methyl-5H-pyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 149082420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).