(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

C17H19FN4O2 — CID 97364853

IUPAC(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1ccc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)nn1
InChIInChI=1S/C17H19FN4O2/c1-11-6-7-15(21-20-11)22-10-14(16-13(22)5-3-9-23-16)24-17-12(18)4-2-8-19-17/h2,4,6-8,13-14,16H,3,5,9-10H2,1H3/t13-,14+,16+/m1/s1
InChIKeyPLZWKWQLXBAFCW-YCPHGPKFSA-N
MW330.36 g/mol
LogP2.13
Rot. Bonds3

About (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole

(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (PubChem CID 97364853) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.

Molecular Properties

Compound Name(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
PubChem CID97364853
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
SMILESCc1ccc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)nn1
InChIInChI=1S/C17H19FN4O2/c1-11-6-7-15(21-20-11)22-10-14(16-13(22)5-3-9-23-16)24-17-12(18)4-2-8-19-17/h2,4,6-8,13-14,16H,3,5,9-10H2,1H3/t13-,14+,16+/m1/s1
InChIKeyPLZWKWQLXBAFCW-YCPHGPKFSA-N
XLogP2.13
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole with MolForge

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Launch Full Analysis

Related Compounds

(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155840133
(3R,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(5-fluoropyrimidin-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155847232
2-[[(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
CID 97387787
(4aR,7S,7aS)-7-[(3-fluoro-2-pyridinyl)oxy]-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124808771
2-[[(3R,3aR,7aS)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide
CID 133142435
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97364838
[(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(cyclopenten-1-yl)methanone
CID 97364856
(3S,3aS,7aR)-1-(6-methylpyridazin-3-yl)-3-(3-pyrazol-1-ylpropoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171689666
(4aS,8aS)-4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-(6-methylpyridazin-3-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 124799604
N-[(3R,3aR,7aR)-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide
CID 133145197
(4aR,7R,7aS)-7-[(3-fluoro-2-pyridinyl)oxy]-4-[(6-methyl-2-pyridinyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124795508
(4aR,7S,7aS)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-[(3-fluoro-2-pyridinyl)oxy]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 124809258

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The IUPAC name of (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole (CID 97364853) is (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole.
What is the SMILES notation for (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The canonical SMILES for (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is Cc1ccc(N2C[C@H](Oc3ncccc3F)[C@H]3OCCC[C@H]32)nn1.
What is the InChIKey of (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
The InChIKey is PLZWKWQLXBAFCW-YCPHGPKFSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-6-7-15(21-20-11)22-10-14(16-13(22)5-3-9-23-16)24-17-12(18)4-2-8-19-17/h2,4,6-8,13-14,16H,3,5,9-10H2,1H3/t13-,14+,16+/m1/s1.
What are the key properties of (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole?
(3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole has a molecular weight of 330.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,7aR)-3-[(3-fluoro-2-pyridinyl)oxy]-1-(6-methylpyridazin-3-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole is sourced from PubChem (CID 97364853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).