[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone

C17H19N5O2 — CID 97386251

IUPAC[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C17H19N5O2/c23-17(13-3-5-19-20-9-13)22-7-6-21-12-16(8-14(21)11-22)24-15-2-1-4-18-10-15/h1-5,9-10,14,16H,6-8,11-12H2/t14-,16+/m0/s1
InChIKeyWLVNFFZVHOIFFI-GOEBONIOSA-N
MW325.37 g/mol
LogP0.85
Rot. Bonds3

About [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone

[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone (PubChem CID 97386251) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
PubChem CID97386251
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C17H19N5O2/c23-17(13-3-5-19-20-9-13)22-7-6-21-12-16(8-14(21)11-22)24-15-2-1-4-18-10-15/h1-5,9-10,14,16H,6-8,11-12H2/t14-,16+/m0/s1
InChIKeyWLVNFFZVHOIFFI-GOEBONIOSA-N
XLogP0.85
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

US11597728, Example 205
CID 168058594
4-methoxy-2-{[(3R,6R)-6-methyl-1-{[4-(2H-1,2,3-triazol-2-yl)pyridin-3-yl]carbonyl}piperidin-3-yl]oxy}pyridine
CID 78324920
(6-Propan-2-yloxy-3-pyridinyl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 53621266
3-({1-[(3-isobutyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-4-piperidinyl}oxy)pyridine
CID 70725322
(1,3-Dimethyl-5-pyridin-3-yloxypyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 71561503
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
CID 97362564
[(4aS,7R,7aR)-7-pyridin-3-yloxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-pyridazin-4-ylmethanone
CID 97365512
[(3R,3aS,7aR)-3-(pyridin-3-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyridazin-4-ylmethanone
CID 97366252
(7R,8aS)-2-[(1-methylpyrazol-4-yl)methyl]-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97386243
[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone
CID 97386277
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
CID 97458371
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-fluorophenyl)methanone
CID 97458373

Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone (CID 97386251) is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone?
The InChIKey is WLVNFFZVHOIFFI-GOEBONIOSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-17(13-3-5-19-20-9-13)22-7-6-21-12-16(8-14(21)11-22)24-15-2-1-4-18-10-15/h1-5,9-10,14,16H,6-8,11-12H2/t14-,16+/m0/s1.
What are the key properties of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone?
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97386251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).