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

C15H24N4O2 — CID 100647278

IUPAC[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
SMILESCC(C)c1[nH]ncc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1
InChIInChI=1S/C15H24N4O2/c1-10(2)14-11(8-16-17-14)15(20)19-5-4-13-12(9-19)18(3)6-7-21-13/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyREJGDCJQRZTPRG-QWHCGFSZSA-N
MW292.38 g/mol
LogP1.08
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-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-4-yl)methanone (PubChem CID 100647278) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 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-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-4-yl)methanone
PubChem CID100647278
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
SMILESCC(C)c1[nH]ncc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1
InChIInChI=1S/C15H24N4O2/c1-10(2)14-11(8-16-17-14)15(20)19-5-4-13-12(9-19)18(3)6-7-21-13/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyREJGDCJQRZTPRG-QWHCGFSZSA-N
XLogP1.08
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(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
(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]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 129483801
[(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
[(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
2-(dimethylamino)-4-[1-(5-propan-2-yl-1H-pyrazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137246965
[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 129483703
5-methyl-1-[4-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 154769440
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129486414
[(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
(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
1-[3-[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine-6-carbonyl]azetidin-1-yl]ethanone
CID 129491378

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-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-4-yl)methanone (CID 100647278) is [(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(5-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-4-yl)methanone is CC(C)c1[nH]ncc1C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1.
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-propan-2-yl-1H-pyrazol-4-yl)methanone?
The InChIKey is REJGDCJQRZTPRG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)14-11(8-16-17-14)15(20)19-5-4-13-12(9-19)18(3)6-7-21-13/h8,10,12-13H,4-7,9H2,1-3H3,(H,16,17)/t12-,13+/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-propan-2-yl-1H-pyrazol-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-propan-2-yl-1H-pyrazol-4-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-propan-2-yl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 100647278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).