(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

C21H25N7O — CID 156688434

IUPAC(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
SMILESCc1ccc(N2CCN3C(=O)C(CCCc4cccn5ncnc45)C[C@H]3C2)nn1
InChIInChI=1S/C21H25N7O/c1-15-7-8-19(25-24-15)26-10-11-27-18(13-26)12-17(21(27)29)5-2-4-16-6-3-9-28-20(16)22-14-23-28/h3,6-9,14,17-18H,2,4-5,10-13H2,1H3/t17?,18-/m0/s1
InChIKeyQTRFLBRCDQCYPM-ZVAWYAOSSA-N
MW391.48 g/mol
LogP1.89
Rot. Bonds5

About (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

(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 (PubChem CID 156688434) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID156688434
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name(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
SMILESCc1ccc(N2CCN3C(=O)C(CCCc4cccn5ncnc45)C[C@H]3C2)nn1
InChIInChI=1S/C21H25N7O/c1-15-7-8-19(25-24-15)26-10-11-27-18(13-26)12-17(21(27)29)5-2-4-16-6-3-9-28-20(16)22-14-23-28/h3,6-9,14,17-18H,2,4-5,10-13H2,1H3/t17?,18-/m0/s1
InChIKeyQTRFLBRCDQCYPM-ZVAWYAOSSA-N
XLogP1.89
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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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-[[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-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
1-[8-(6-methylpyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-3-([1,2,4]triazolo[1,5-a]pyridin-8-ylmethoxy)propan-1-one
CID 163642449
(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
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
2-[(2R)-1-cyclopentyl-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95895193
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
CID 126891751
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
2-[(2R)-1-[(3,4-difluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)piperazin-2-yl]ethanol
CID 95897732
(1S,5R)-3-(6-methylpyridazin-3-yl)-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749625

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1ccc(N2CCN3C(=O)C(CCCc4cccn5ncnc45)C[C@H]3C2)nn1.
What is the InChIKey of (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?
The InChIKey is QTRFLBRCDQCYPM-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H25N7O/c1-15-7-8-19(25-24-15)26-10-11-27-18(13-26)12-17(21(27)29)5-2-4-16-6-3-9-28-20(16)22-14-23-28/h3,6-9,14,17-18H,2,4-5,10-13H2,1H3/t17?,18-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 391.48 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 156688434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).