[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone

C15H23ClN4O2 — CID 129482363

IUPAC[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1Cl
InChIInChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyLBPNLDQKGLHVEO-NWDGAFQWSA-N
MW326.83 g/mol
LogP1.41
Rot. Bonds2

About [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone

[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone (PubChem CID 129482363) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone
PubChem CID129482363
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone
SMILESCCn1nc(C)c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1Cl
InChIInChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyLBPNLDQKGLHVEO-NWDGAFQWSA-N
XLogP1.41
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974424
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129483467
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590611
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 124813293
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
CID 136528172
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-methylthiophen-2-yl)methanone
CID 124806600
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 95139427
(3-bromo-2-pyridinyl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128974411
(3S)-1-(5-chloro-1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124697274
[(4aS,8aS)-4-ethyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98895616
(4-cyclopropyl-2-methylpyrimidin-5-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128969774
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4,5-dimethoxy-2-methylphenyl)methanone
CID 129350637

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone?
The IUPAC name of [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone (CID 129482363) is [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone is CCn1nc(C)c(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1Cl.
What is the InChIKey of [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone?
The InChIKey is LBPNLDQKGLHVEO-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-4-20-14(16)13(10(2)17-20)15(21)19-6-5-12-11(9-19)18(3)7-8-22-12/h11-12H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone?
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone has a molecular weight of 326.83 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 129482363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).