(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C17H21N5O3 — CID 124794071

IUPAC(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@H]3C2)ncn1
InChIInChI=1S/C17H21N5O3/c1-23-15-7-14(18-9-19-15)22-5-4-11-6-12(24-13(11)8-22)17-21-20-16(25-17)10-2-3-10/h7,9-13H,2-6,8H2,1H3/t11-,12+,13+/m1/s1
InChIKeyCKPROJQEVYWJGT-AGIUHOORSA-N
MW343.39 g/mol
LogP2.10
Rot. Bonds4

About (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124794071) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124794071
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESCOc1cc(N2CC[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@H]3C2)ncn1
InChIInChI=1S/C17H21N5O3/c1-23-15-7-14(18-9-19-15)22-5-4-11-6-12(24-13(11)8-22)17-21-20-16(25-17)10-2-3-10/h7,9-13H,2-6,8H2,1H3/t11-,12+,13+/m1/s1
InChIKeyCKPROJQEVYWJGT-AGIUHOORSA-N
XLogP2.10
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Related Compounds

(3aR,7S,7aS)-2-(6-methoxypyrimidin-4-yl)-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole
CID 97950090
(2S,3aS,6aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(6-methoxypyrimidin-4-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97369263
(2R,3aS,7aS)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369479
(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97474278
(1R,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-5-(6-methoxypyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97477929
(3aR,5S,7aR)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97950108
(3aS,5S,7aS)-1-(6-methoxypyrimidin-4-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 124808751
(2S,3aR,7aR)-5-(6-methoxypyrimidin-4-yl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 133143285

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124794071) is (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is COc1cc(N2CC[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@H]3C2)ncn1.
What is the InChIKey of (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is CKPROJQEVYWJGT-AGIUHOORSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-23-15-7-14(18-9-19-15)22-5-4-11-6-12(24-13(11)8-22)17-21-20-16(25-17)10-2-3-10/h7,9-13H,2-6,8H2,1H3/t11-,12+,13+/m1/s1.
What are the key properties of (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 343.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,7aR)-2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-6-(6-methoxypyrimidin-4-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124794071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).