1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone

C18H22N4O3 — CID 97388777

IUPAC1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@@H]32)o1
InChIInChI=1S/C18H22N4O3/c1-12-20-21-18(25-12)14-6-9-24-16-5-8-22(11-15(14)16)17(23)10-13-4-2-3-7-19-13/h2-4,7,14-16H,5-6,8-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyJACWKVLNGXAQDP-BZUAXINKSA-N
MW342.40 g/mol
LogP1.74
Rot. Bonds3

About 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone

1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 97388777) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone
PubChem CID97388777
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@@H]32)o1
InChIInChI=1S/C18H22N4O3/c1-12-20-21-18(25-12)14-6-9-24-16-5-8-22(11-15(14)16)17(23)10-13-4-2-3-7-19-13/h2-4,7,14-16H,5-6,8-11H2,1H3/t14-,15-,16-/m1/s1
InChIKeyJACWKVLNGXAQDP-BZUAXINKSA-N
XLogP1.74
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone 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

[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1H-pyrazol-5-yl)methanone
CID 131684172
[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(1,3-thiazol-4-yl)methanone
CID 97411463
1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-(1-methoxycyclobutyl)ethanone
CID 131684249
[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(oxan-4-yl)methanone
CID 97388789
(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97367231
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
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
1-[[(3R,3aS,7aS)-5-(2-pyridin-2-ylacetyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]methyl]pyrrolidin-2-one
CID 97386772
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone (CID 97388777) is 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone is Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)Cc4ccccn4)C[C@@H]32)o1.
What is the InChIKey of 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is JACWKVLNGXAQDP-BZUAXINKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-20-21-18(25-12)14-6-9-24-16-5-8-22(11-15(14)16)17(23)10-13-4-2-3-7-19-13/h2-4,7,14-16H,5-6,8-11H2,1H3/t14-,15-,16-/m1/s1.
What are the key properties of 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone has a molecular weight of 342.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,4aS,8aR)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 97388777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).