(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C22H25FN6O — CID 158402763

IUPAC(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1ccc(N2CCN3C(=O)[C@@H](CCCc4c(F)ccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C22H25FN6O/c1-15-5-6-20(24-12-15)27-9-10-28-17(13-27)11-16(22(28)30)3-2-4-18-19(23)7-8-29-21(18)25-14-26-29/h5-8,12,14,16-17H,2-4,9-11,13H2,1H3/t16-,17-/m0/s1
InChIKeySNSXYQGVUHAFNS-IRXDYDNUSA-N
MW408.48 g/mol
LogP2.63
Rot. Bonds5

About (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 158402763) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID158402763
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC Name(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCc1ccc(N2CCN3C(=O)[C@@H](CCCc4c(F)ccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C22H25FN6O/c1-15-5-6-20(24-12-15)27-9-10-28-17(13-27)11-16(22(28)30)3-2-4-18-19(23)7-8-29-21(18)25-14-26-29/h5-8,12,14,16-17H,2-4,9-11,13H2,1H3/t16-,17-/m0/s1
InChIKeySNSXYQGVUHAFNS-IRXDYDNUSA-N
XLogP2.63
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7S,8aS)-2-(5-methoxy-2-pyridinyl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 172854687
(7S,8aS)-2-(5-methyl-2-pyridinyl)-7-[3-([1,2,4]triazolo[4,3-a]pyridin-5-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 158043411
(8aS)-2-(6-methylpyridazin-3-yl)-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 156688434
(7S,8aS)-2-(5-fluoro-2-pyridinyl)-7-(3-pyrazolo[1,5-a]pyridin-4-ylpropyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 147443194
(7S,8aS)-2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;(7S,8aS)-2-[5-(hydroxymethyl)-2-pyridinyl]-7-[3-([1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 158385037
(7S,8aS)-7-[3-(6-fluoroimidazo[1,2-a]pyridin-5-yl)propyl]-2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;(8aS)-7-[3-(6-fluoroimidazo[1,2-a]pyridin-5-yl)propyl]-2-(5-fluoro-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;2-bromo-5-fluoropyridine
CID 157302490
7-ethyl-2-methyl-1,4-bis(5-methyl-2-pyridinyl)-1,4,7-triazonane
CID 18459724
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
2-[1-(5-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114802391
2-[3-(bromomethyl)pyrrolidin-1-yl]-5-methylpyridine
CID 80679968
4-[1-(5-methyl-2-pyridinyl)azetidin-3-yl]piperazin-2-one
CID 163357658
4-chloro-5-fluoro-7-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrrolo[2,3-d]pyrimidine
CID 58057863

Frequently Asked Questions

What is the IUPAC name of (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 158402763) is (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is Cc1ccc(N2CCN3C(=O)[C@@H](CCCc4c(F)ccn5ncnc45)C[C@H]3C2)nc1.
What is the InChIKey of (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is SNSXYQGVUHAFNS-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-15-5-6-20(24-12-15)27-9-10-28-17(13-27)11-16(22(28)30)3-2-4-18-19(23)7-8-29-21(18)25-14-26-29/h5-8,12,14,16-17H,2-4,9-11,13H2,1H3/t16-,17-/m0/s1.
What are the key properties of (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
(7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 408.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aS)-7-[3-(7-fluoro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)propyl]-2-(5-methyl-2-pyridinyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 158402763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).