[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone

C17H21N5O2 — CID 97377504

IUPAC[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(N2CCO[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)nn1
InChIInChI=1S/C17H21N5O2/c1-12-5-6-16(19-18-12)22-8-9-24-15-11-21(10-14(15)22)17(23)13-4-3-7-20(13)2/h3-7,14-15H,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyUPFVMWHMWUYWJD-CABCVRRESA-N
MW327.39 g/mol
LogP0.85
Rot. Bonds2

About [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone

[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 97377504) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID97377504
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCc1ccc(N2CCO[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)nn1
InChIInChI=1S/C17H21N5O2/c1-12-5-6-16(19-18-12)22-8-9-24-15-11-21(10-14(15)22)17(23)13-4-3-7-20(13)2/h3-7,14-15H,8-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyUPFVMWHMWUYWJD-CABCVRRESA-N
XLogP0.85
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-2-ylmethanone
CID 97377509
[(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
(4aS,7aS)-N,N-dimethyl-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carboxamide
CID 125219870
[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-thiophen-3-ylmethanone
CID 97377503
[(4aS,7aS)-4-pyridin-2-yl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 155877284
1-[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-methoxyethanone;2,2,2-trifluoroacetic acid
CID 155847807
(4aR,7aS)-4-(6-methylpyridazin-3-yl)-6-(pyridin-4-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377499
(4aR,7aS)-6-[(4-fluorophenyl)methyl]-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402861
[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 71912057
[(2S,3aR,6aR)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 133139984
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464
4-methyl-7-(6-methylpyridazin-3-yl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 131640274

Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone (CID 97377504) is [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone is Cc1ccc(N2CCO[C@H]3CN(C(=O)c4cccn4C)C[C@H]32)nn1.
What is the InChIKey of [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is UPFVMWHMWUYWJD-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-5-6-16(19-18-12)22-8-9-24-15-11-21(10-14(15)22)17(23)13-4-3-7-20(13)2/h3-7,14-15H,8-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone?
[(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 97377504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).