7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

C24H24N4O3 — CID 56565457

IUPAC7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H24N4O3/c1-24(2)11-19-16(20(29)12-24)10-17(22(30)27-19)23(31)28-8-5-14(6-9-28)18-13-26-21-15(18)4-3-7-25-21/h3-5,7,10,13H,6,8-9,11-12H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyCIQPYCMCCVHZKO-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.34
Rot. Bonds2

About 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 56565457) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID56565457
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C24H24N4O3/c1-24(2)11-19-16(20(29)12-24)10-17(22(30)27-19)23(31)28-8-5-14(6-9-28)18-13-26-21-15(18)4-3-7-25-21/h3-5,7,10,13H,6,8-9,11-12H2,1-2H3,(H,25,26)(H,27,30)
InChIKeyCIQPYCMCCVHZKO-UHFFFAOYSA-N
XLogP3.34
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione with MolForge

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Related Compounds

4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzamide
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CID 42032790
(2-nitrophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 71943403
[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 24632257
(3,4-difluorophenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
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CID 55552636
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 24676151
4-methyl-N-(4-methylphenyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]benzenesulfonamide
CID 55506969
2,2-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
CID 55553104
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 24676138
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 167753472

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (CID 56565457) is 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CC=C(c4c[nH]c5ncccc45)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is CIQPYCMCCVHZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-24(2)11-19-16(20(29)12-24)10-17(22(30)27-19)23(31)28-8-5-14(6-9-28)18-13-26-21-15(18)4-3-7-25-21/h3-5,7,10,13H,6,8-9,11-12H2,1-2H3,(H,25,26)(H,27,30).
What are the key properties of 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 416.48 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 56565457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).