[(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

C15H19N5O3 — CID 131684172

IUPAC[(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
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccn[nH]4)C[C@@H]32)o1
InChIInChI=1S/C15H19N5O3/c1-9-17-19-14(23-9)10-4-7-22-13-3-6-20(8-11(10)13)15(21)12-2-5-16-18-12/h2,5,10-11,13H,3-4,6-8H2,1H3,(H,16,18)/t10-,11-,13-/m1/s1
InChIKeyJBFBZYJRDAAGLJ-NQBHXWOUSA-N
MW317.35 g/mol
LogP1.14
Rot. Bonds2

About [(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

[(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 (PubChem CID 131684172) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID131684172
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name[(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
SMILESCc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccn[nH]4)C[C@@H]32)o1
InChIInChI=1S/C15H19N5O3/c1-9-17-19-14(23-9)10-4-7-22-13-3-6-20(8-11(10)13)15(21)12-2-5-16-18-12/h2,5,10-11,13H,3-4,6-8H2,1H3,(H,16,18)/t10-,11-,13-/m1/s1
InChIKeyJBFBZYJRDAAGLJ-NQBHXWOUSA-N
XLogP1.14
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(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 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]-(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-pyridin-2-ylethanone
CID 97388777
[(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
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)-6-[(5-methylthiophen-2-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97367231
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
[(5aR,9aS)-4-methyl-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-8-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 171693273
[(4aR,9aS)-4-[2-(dimethylamino)ethyl]-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 124801162
(3-bromo-4-methylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 102962456
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1nnc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccn[nH]4)C[C@@H]32)o1.
What is the InChIKey of [(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?
The InChIKey is JBFBZYJRDAAGLJ-NQBHXWOUSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-17-19-14(23-9)10-4-7-22-13-3-6-20(8-11(10)13)15(21)12-2-5-16-18-12/h2,5,10-11,13H,3-4,6-8H2,1H3,(H,16,18)/t10-,11-,13-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 317.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 131684172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).