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

C15H18N4O2 — CID 138010926

IUPAC[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESNc1ccn2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2c1
InChIInChI=1S/C15H18N4O2/c16-10-4-5-19-13(8-10)11(9-17-19)15(20)18-6-7-21-14-3-1-2-12(14)18/h4-5,8-9,12,14H,1-3,6-7,16H2/t12-,14+/m0/s1
InChIKeyANQPHGSAJMMXEK-GXTWGEPZSA-N
MW286.33 g/mol
LogP1.31
Rot. Bonds1

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

[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 138010926) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID138010926
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone
SMILESNc1ccn2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2c1
InChIInChI=1S/C15H18N4O2/c16-10-4-5-19-13(8-10)11(9-17-19)15(20)18-6-7-21-14-3-1-2-12(14)18/h4-5,8-9,12,14H,1-3,6-7,16H2/t12-,14+/m0/s1
InChIKeyANQPHGSAJMMXEK-GXTWGEPZSA-N
XLogP1.31
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[3,3-dimethyl-2-(oxolan-2-yl)azetidin-1-yl]methanone
CID 138010804
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(5-amino-2-nitrophenyl)methanone
CID 62160054
[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-amino-3-pyridinyl)methanone
CID 124572102
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-aminophenyl)methanone
CID 54906161
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3,5-diaminophenyl)methanone
CID 61108164
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-[2-(hydroxymethyl)-5,5-dimethylpiperidin-1-yl]methanone
CID 154789275
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2-amino-5-methylphenyl)methanone
CID 62059666
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-sulfanylphenyl)methanone
CID 107026884
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(2-methylphenyl)methanone
CID 128946457
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(6-amino-2-pyridinyl)methanone
CID 62240163
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 62922896

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]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone (CID 138010926) is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-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]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone is Nc1ccn2ncc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2c1.
What is the InChIKey of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is ANQPHGSAJMMXEK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-10-4-5-19-13(8-10)11(9-17-19)15(20)18-6-7-21-14-3-1-2-12(14)18/h4-5,8-9,12,14H,1-3,6-7,16H2/t12-,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]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone?
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 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]-(5-aminopyrazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 138010926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).