(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

C22H24FN5O — CID 147443194

IUPAC(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
SMILESO=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CN(c3ccc(F)cn3)CCN12
InChIInChI=1S/C22H24FN5O/c23-18-6-7-21(24-14-18)26-11-12-27-19(15-26)13-17(22(27)29)4-1-3-16-5-2-10-28-20(16)8-9-25-28/h2,5-10,14,17,19H,1,3-4,11-13,15H2/t17-,19-/m0/s1
InChIKeyDWPOBMQPEXYDFO-HKUYNNGSSA-N
MW393.47 g/mol
LogP2.93
Rot. Bonds5

About (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

(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 (PubChem CID 147443194) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID147443194
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name(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
SMILESO=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CN(c3ccc(F)cn3)CCN12
InChIInChI=1S/C22H24FN5O/c23-18-6-7-21(24-14-18)26-11-12-27-19(15-26)13-17(22(27)29)4-1-3-16-5-2-10-28-20(16)8-9-25-28/h2,5-10,14,17,19H,1,3-4,11-13,15H2/t17-,19-/m0/s1
InChIKeyDWPOBMQPEXYDFO-HKUYNNGSSA-N
XLogP2.93
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 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
(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)-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-[[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
(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
2-[3-(bromomethyl)piperidin-1-yl]-5-fluoropyridine
CID 80672753
1-(5-fluoro-2-pyridinyl)azetidin-3-amine
CID 63759054
5-fluoro-2-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 124957202
5-fluoro-2-[3-(pyridin-3-ylmethyl)piperidin-1-yl]pyridine
CID 110103363
2-(bromomethyl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 81210294
4-(5-fluoro-2-pyridinyl)piperazine-1,2-dicarboxylic acid
CID 174202611

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1[C@@H](CCCc2cccn3nccc23)C[C@H]2CN(c3ccc(F)cn3)CCN12.
What is the InChIKey of (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?
The InChIKey is DWPOBMQPEXYDFO-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-18-6-7-21(24-14-18)26-11-12-27-19(15-26)13-17(22(27)29)4-1-3-16-5-2-10-28-20(16)8-9-25-28/h2,5-10,14,17,19H,1,3-4,11-13,15H2/t17-,19-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 393.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 147443194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).