[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone

C16H20N4O2 — CID 94643423

IUPAC[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12
InChIInChI=1S/C16H20N4O2/c1-10-12-8-11(9-17-15(12)19(2)18-10)16(21)20-6-7-22-14-5-3-4-13(14)20/h8-9,13-14H,3-7H2,1-2H3/t13-,14+/m0/s1
InChIKeyGPGFWHKEUIKSGU-UONOGXRCSA-N
MW300.36 g/mol
LogP1.67
Rot. Bonds1

About [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone

[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 94643423) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID94643423
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12
InChIInChI=1S/C16H20N4O2/c1-10-12-8-11(9-17-15(12)19(2)18-10)16(21)20-6-7-22-14-5-3-4-13(14)20/h8-9,13-14H,3-7H2,1-2H3/t13-,14+/m0/s1
InChIKeyGPGFWHKEUIKSGU-UONOGXRCSA-N
XLogP1.67
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone with MolForge

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Related Compounds

(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
CID 95580398
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 42937320
1,3-dimethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 35251975
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl chloride
CID 45081942
2-[4-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-2,6-dimethylphenoxy]acetic acid
CID 129466709
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119594000

Frequently Asked Questions

What is the IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone (CID 94643423) is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone is Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12.
What is the InChIKey of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is GPGFWHKEUIKSGU-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-12-8-11(9-17-15(12)19(2)18-10)16(21)20-6-7-22-14-5-3-4-13(14)20/h8-9,13-14H,3-7H2,1-2H3/t13-,14+/m0/s1.
What are the key properties of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone?
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 94643423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).