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

C19H24N4O2 — CID 131688081

IUPAC[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)nc2ccccn12
InChIInChI=1S/C19H24N4O2/c1-13-18(20-17-4-2-3-7-23(13)17)19(24)22-11-15-16(12-22)25-9-8-21(15)10-14-5-6-14/h2-4,7,14-16H,5-6,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyCSEWSFZIYBXCLL-CVEARBPZSA-N
MW340.43 g/mol
LogP1.58
Rot. Bonds3

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

[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 131688081) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID131688081
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)nc2ccccn12
InChIInChI=1S/C19H24N4O2/c1-13-18(20-17-4-2-3-7-23(13)17)19(24)22-11-15-16(12-22)25-9-8-21(15)10-14-5-6-14/h2-4,7,14-16H,5-6,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyCSEWSFZIYBXCLL-CVEARBPZSA-N
XLogP1.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 155501840
[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131688439
1-[(4aR,7aS)-4-(cyclopentylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-2-pyridin-2-ylethanone
CID 97402896
[(4aS,8aS)-4-(cyclopropylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(1-methylimidazol-4-yl)methanone
CID 98897595
7-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 155494740
[(4aR,7aS)-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyridin-2-ylmethanone
CID 131657820
[(4aS,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 97066807
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
CID 129486455
[(4aS,7aS)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 97002453
1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84654901
[(4aS,7aR)-4-(2-methoxyethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-phenylmethanone
CID 124798189

Frequently Asked Questions

What is the IUPAC name of [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 131688081) is [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1c(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)nc2ccccn12.
What is the InChIKey of [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is CSEWSFZIYBXCLL-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-18(20-17-4-2-3-7-23(13)17)19(24)22-11-15-16(12-22)25-9-8-21(15)10-14-5-6-14/h2-4,7,14-16H,5-6,8-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,7aS)-4-(cyclopropylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 131688081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).