(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C23H25N5O2 — CID 97265977

IUPAC(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-26-20(29)15-18(21(26)16-7-3-2-4-8-16)23(30)27-13-10-17(11-14-27)22-25-24-19-9-5-6-12-28(19)22/h2-9,12,17-18,21H,10-11,13-15H2,1H3/t18-,21-/m1/s1
InChIKeyGRKXXPGSGIMSAB-WIYYLYMNSA-N
MW403.49 g/mol
LogP2.65
Rot. Bonds3

About (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97265977) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID97265977
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-26-20(29)15-18(21(26)16-7-3-2-4-8-16)23(30)27-13-10-17(11-14-27)22-25-24-19-9-5-6-12-28(19)22/h2-9,12,17-18,21H,10-11,13-15H2,1H3/t18-,21-/m1/s1
InChIKeyGRKXXPGSGIMSAB-WIYYLYMNSA-N
XLogP2.65
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 97269783
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
N-benzyl-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
CID 24664708
1-methyl-5-(4-methylpiperidine-1-carbonyl)-6-phenylpiperidin-2-one
CID 56730517
(1-phenylcyclopropyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33447221
(4S,5S)-4-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazine-1-carbonyl]-1-methyl-5-phenylpyrrolidin-2-one
CID 124773898
(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
2-(4-methylphenyl)sulfanyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 131927097
1-(3-chlorophenyl)-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 42952977
7a-methyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 51212842
6-pyrrol-1-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]hexan-1-one
CID 127254735

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 97265977) is (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CN1C(=O)C[C@@H](C(=O)N2CCC(c3nnc4ccccn34)CC2)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is GRKXXPGSGIMSAB-WIYYLYMNSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-26-20(29)15-18(21(26)16-7-3-2-4-8-16)23(30)27-13-10-17(11-14-27)22-25-24-19-9-5-6-12-28(19)22/h2-9,12,17-18,21H,10-11,13-15H2,1H3/t18-,21-/m1/s1.
What are the key properties of (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 403.49 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1-methyl-5-phenyl-4-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97265977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).