(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H25N5O3 — CID 51933562

IUPAC(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)c1
InChIInChI=1S/C23H25N5O3/c1-31-19-8-4-7-18(13-19)28-15-17(12-21(28)29)23(30)26-10-5-6-16(14-26)22-25-24-20-9-2-3-11-27(20)22/h2-4,7-9,11,13,16-17H,5-6,10,12,14-15H2,1H3/t16-,17+/m0/s1
InChIKeyKDNJKMGREQPDCT-DLBZAZTESA-N
MW419.49 g/mol
LogP2.50
Rot. Bonds4

About (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 51933562) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID51933562
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)c1
InChIInChI=1S/C23H25N5O3/c1-31-19-8-4-7-18(13-19)28-15-17(12-21(28)29)23(30)26-10-5-6-16(14-26)22-25-24-20-9-2-3-11-27(20)22/h2-4,7-9,11,13,16-17H,5-6,10,12,14-15H2,1H3/t16-,17+/m0/s1
InChIKeyKDNJKMGREQPDCT-DLBZAZTESA-N
XLogP2.50
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 42952977
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508
2-(3-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 46534448
(4S)-1-(3-chlorophenyl)-4-[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 51935556
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345
(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51597058
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
3-(4-methoxyphenyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 75770583
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 51933562) is (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is COc1cccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc5ccccn45)C3)CC2=O)c1.
What is the InChIKey of (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is KDNJKMGREQPDCT-DLBZAZTESA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-19-8-4-7-18(13-19)28-15-17(12-21(28)29)23(30)26-10-5-6-16(14-26)22-25-24-20-9-2-3-11-27(20)22/h2-4,7-9,11,13,16-17H,5-6,10,12,14-15H2,1H3/t16-,17+/m0/s1.
What are the key properties of (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 419.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-methoxyphenyl)-4-[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 51933562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).