(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

C22H26N6O2 — CID 172854687

IUPAC(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
SMILESCOc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C22H26N6O2/c1-30-19-7-8-20(23-13-19)26-10-11-27-18(14-26)12-17(22(27)29)5-2-4-16-6-3-9-28-21(16)24-15-25-28/h3,6-9,13,15,17-18H,2,4-5,10-12,14H2,1H3/t17-,18-/m0/s1
InChIKeyYNOPLECYMNGOJQ-ROUUACIJSA-N
MW406.49 g/mol
LogP2.19
Rot. Bonds6

About (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

(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 (PubChem CID 172854687) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID172854687
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name(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
SMILESCOc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1
InChIInChI=1S/C22H26N6O2/c1-30-19-7-8-20(23-13-19)26-10-11-27-18(14-26)12-17(22(27)29)5-2-4-16-6-3-9-28-21(16)24-15-25-28/h3,6-9,13,15,17-18H,2,4-5,10-12,14H2,1H3/t17-,18-/m0/s1
InChIKeyYNOPLECYMNGOJQ-ROUUACIJSA-N
XLogP2.19
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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Related Compounds

(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-[[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-(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
(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-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
(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
2-(3-ethylazetidin-1-yl)-5-methoxypyridine
CID 154695178
8-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172784495
2-(3-bromopiperidin-1-yl)-5-methoxypyridine
CID 106505131
N-[2-(4-methoxyphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 90671746
8-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 155300889
(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136547051

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc(N2CCN3C(=O)[C@@H](CCCc4cccn5ncnc45)C[C@H]3C2)nc1.
What is the InChIKey of (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?
The InChIKey is YNOPLECYMNGOJQ-ROUUACIJSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-19-7-8-20(23-13-19)26-10-11-27-18(14-26)12-17(22(27)29)5-2-4-16-6-3-9-28-21(16)24-15-25-28/h3,6-9,13,15,17-18H,2,4-5,10-12,14H2,1H3/t17-,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 406.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 172854687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).