[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

C17H24N4O3 — CID 124800228

IUPAC[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESCc1ccc(N2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)nn1
InChIInChI=1S/C17H24N4O3/c1-12-4-5-16(19-18-12)20-8-6-13-10-14(24-15(13)11-20)17(22)21-7-2-3-9-23-21/h4-5,13-15H,2-3,6-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeySTNNTFCDIOROFP-KFWWJZLASA-N
MW332.40 g/mol
LogP1.32
Rot. Bonds2

About [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (PubChem CID 124800228) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
PubChem CID124800228
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESCc1ccc(N2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)nn1
InChIInChI=1S/C17H24N4O3/c1-12-4-5-16(19-18-12)20-8-6-13-10-14(24-15(13)11-20)17(22)21-7-2-3-9-23-21/h4-5,13-15H,2-3,6-11H2,1H3/t13-,14-,15+/m1/s1
InChIKeySTNNTFCDIOROFP-KFWWJZLASA-N
XLogP1.32
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone with MolForge

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Related Compounds

[(2R,3aS,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 155831711
(2S,3aS,7aS)-N,N-dimethyl-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366654
(2S,3aS,7aS)-N-cyclopropyl-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97415842
(2R,3aS,7aS)-N-(cyclopropylmethyl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388445
(2S,3aS,7aR)-N-(1-methylpiperidin-4-yl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97364906
(2S,3aS,7aR)-N-(2-methoxyethyl)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97387862
[(2R,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388532
[(2S,3aR,7aR)-6-(thiophen-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 124787588
[4-(6-methylpyridazin-3-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-pyrrolidin-1-ylmethanone
CID 134074395
[(2R,3aS,7aS)-6-(2-ethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388541
1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131683056
[(5aS,9aR)-4-(6-methylpyridazin-3-yl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1-methylpyrrol-2-yl)methanone
CID 124818163

Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (CID 124800228) is [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is Cc1ccc(N2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)nn1.
What is the InChIKey of [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The InChIKey is STNNTFCDIOROFP-KFWWJZLASA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-4-5-16(19-18-12)20-8-6-13-10-14(24-15(13)11-20)17(22)21-7-2-3-9-23-21/h4-5,13-15H,2-3,6-11H2,1H3/t13-,14-,15+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
[(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-6-(6-methylpyridazin-3-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 124800228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).