[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

C17H24N4O4 — CID 124797657

IUPAC[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOc1cc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)ncn1
InChIInChI=1S/C17H24N4O4/c1-23-16-9-15(18-11-19-16)20-6-3-14-13(10-20)12(4-8-24-14)17(22)21-5-2-7-25-21/h9,11-14H,2-8,10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyQZIZWSXPLGRPOY-MJBXVCDLSA-N
MW348.40 g/mol
LogP0.88
Rot. Bonds3

About [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone

[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 124797657) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID124797657
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESCOc1cc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)ncn1
InChIInChI=1S/C17H24N4O4/c1-23-16-9-15(18-11-19-16)20-6-3-14-13(10-20)12(4-8-24-14)17(22)21-5-2-7-25-21/h9,11-14H,2-8,10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyQZIZWSXPLGRPOY-MJBXVCDLSA-N
XLogP0.88
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4S,4aS,8aS)-N-(cyclopropylmethyl)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155824823
(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155827283
(4R,4aR,8aR)-6-(6-methoxypyrimidin-4-yl)-N-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155828919
(4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155848677
(4R,4aR,8aR)-N-cyclobutyl-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155849078
(4R,4aS,8aR)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155862212
[(3aR,7S,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97362669
[(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 97364691
[(3aR,7R,7aR)-2-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97364708
(3R,4aR,8aS)-6-(6-methoxypyrimidin-4-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 97366407
(4R,4aR,8aR)-6-(6-methoxypyrimidin-4-yl)-N-propan-2-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367014
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367020

Frequently Asked Questions

What is the IUPAC name of [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone (CID 124797657) is [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is COc1cc(N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)ncn1.
What is the InChIKey of [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is QZIZWSXPLGRPOY-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-23-16-9-15(18-11-19-16)20-6-3-14-13(10-20)12(4-8-24-14)17(22)21-5-2-7-25-21/h9,11-14H,2-8,10H2,1H3/t12-,13+,14-/m0/s1.
What are the key properties of [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone?
[(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 348.40 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,4aS,8aS)-6-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 124797657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).