7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

C23H25N5O3 — CID 56559869

IUPAC7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(c4nnc5ccccn45)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H25N5O3/c1-23(2)12-17-15(18(29)13-23)11-16(21(30)24-17)22(31)27-9-6-14(7-10-27)20-26-25-19-5-3-4-8-28(19)20/h3-5,8,11,14H,6-7,9-10,12-13H2,1-2H3,(H,24,30)
InChIKeyDAIXZSPIUBRCHO-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.59
Rot. Bonds2

About 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione

7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (PubChem CID 56559869) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.

Molecular Properties

Compound Name7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
PubChem CID56559869
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione
SMILESCC1(C)CC(=O)c2cc(C(=O)N3CCC(c4nnc5ccccn45)CC3)c(=O)[nH]c2C1
InChIInChI=1S/C23H25N5O3/c1-23(2)12-17-15(18(29)13-23)11-16(21(30)24-17)22(31)27-9-6-14(7-10-27)20-26-25-19-5-3-4-8-28(19)20/h3-5,8,11,14H,6-7,9-10,12-13H2,1-2H3,(H,24,30)
InChIKeyDAIXZSPIUBRCHO-UHFFFAOYSA-N
XLogP2.59
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

7,7-dimethyl-3-(piperidine-1-carbonyl)-6,8-dihydro-1H-quinoline-2,5-dione
CID 17020151
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564223
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566
1-(7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56567035
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
(2,3-dimethyl-1H-indol-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31999452
(2,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31742881
(4-nitrophenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897188
(4-methoxynaphthalen-1-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35898021
[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 35897336
3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
CID 56564846

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The IUPAC name of 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione (CID 56559869) is 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione.
What is the SMILES notation for 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The canonical SMILES for 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is CC1(C)CC(=O)c2cc(C(=O)N3CCC(c4nnc5ccccn45)CC3)c(=O)[nH]c2C1.
What is the InChIKey of 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
The InChIKey is DAIXZSPIUBRCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-23(2)12-17-15(18(29)13-23)11-16(21(30)24-17)22(31)27-9-6-14(7-10-27)20-26-25-19-5-3-4-8-28(19)20/h3-5,8,11,14H,6-7,9-10,12-13H2,1-2H3,(H,24,30).
What are the key properties of 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione?
7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione has a molecular weight of 419.49 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-6,8-dihydro-1H-quinoline-2,5-dione is sourced from PubChem (CID 56559869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).