3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C21H17FN6O2 — CID 142421726

IUPAC3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cccc(F)c4)C[C@@H]23)no1
InChIInChI=1S/C21H17FN6O2/c22-12-3-1-4-13(7-12)27-8-15-16(9-27)18(15)20-25-17(30-26-20)10-28-11-24-19-14(21(28)29)5-2-6-23-19/h1-7,11,15-16,18H,8-10H2/t15-,16+,18?
InChIKeyCLZKMFVTJPNWFB-BYICEURKSA-N
MW404.41 g/mol
LogP2.21
Rot. Bonds4

About 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421726) has the molecular formula C21H17FN6O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID142421726
Molecular FormulaC21H17FN6O2
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC Name3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cccc(F)c4)C[C@@H]23)no1
InChIInChI=1S/C21H17FN6O2/c22-12-3-1-4-13(7-12)27-8-15-16(9-27)18(15)20-25-17(30-26-20)10-28-11-24-19-14(21(28)29)5-2-6-23-19/h1-7,11,15-16,18H,8-10H2/t15-,16+,18?
InChIKeyCLZKMFVTJPNWFB-BYICEURKSA-N
XLogP2.21
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 142421726) is 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc(C2[C@H]3CN(c4cccc(F)c4)C[C@@H]23)no1.
What is the InChIKey of 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CLZKMFVTJPNWFB-BYICEURKSA-N. The full InChI is InChI=1S/C21H17FN6O2/c22-12-3-1-4-13(7-12)27-8-15-16(9-27)18(15)20-25-17(30-26-20)10-28-11-24-19-14(21(28)29)5-2-6-23-19/h1-7,11,15-16,18H,8-10H2/t15-,16+,18?.
What are the key properties of 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 404.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S,5R)-3-(3-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142421726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).