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

C22H22ClN5O2 — CID 42952977

IUPAC1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-4-3-5-18(13-17)28-14-16(12-20(28)29)22(30)26-10-7-15(8-11-26)21-25-24-19-6-1-2-9-27(19)21/h1-6,9,13,15-16H,7-8,10-12,14H2
InChIKeyVZUDNDJIBJVRPL-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.14
Rot. Bonds3

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

1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 42952977) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID42952977
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2nnc3ccccn23)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-4-3-5-18(13-17)28-14-16(12-20(28)29)22(30)26-10-7-15(8-11-26)21-25-24-19-6-1-2-9-27(19)21/h1-6,9,13,15-16H,7-8,10-12,14H2
InChIKeyVZUDNDJIBJVRPL-UHFFFAOYSA-N
XLogP3.14
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(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
1-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 42953107
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-(3-chlorophenyl)pyrrolidin-2-one
CID 134035368
4-[4-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 126911442
(4S)-1-(3-chlorophenyl)-4-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 29134624
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 43059108

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 42952977) is 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2cccc(Cl)c2)C1)N1CCC(c2nnc3ccccn23)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is VZUDNDJIBJVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-17-4-3-5-18(13-17)28-14-16(12-20(28)29)22(30)26-10-7-15(8-11-26)21-25-24-19-6-1-2-9-27(19)21/h1-6,9,13,15-16H,7-8,10-12,14H2.
What are the key properties of 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 423.90 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 42952977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).