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

C21H18N6O2 — CID 142423094

IUPAC3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1nc(C2[C@H]3CN(c4ccccc4)C[C@@H]23)no1
InChIInChI=1S/C21H18N6O2/c28-21-14-6-7-22-8-17(14)23-12-27(21)11-18-24-20(25-29-18)19-15-9-26(10-16(15)19)13-4-2-1-3-5-13/h1-8,12,15-16,19H,9-11H2/t15-,16+,19?
InChIKeyVLDNGTWOASGEFF-MCPYQZEQSA-N
MW386.42 g/mol
LogP2.07
Rot. Bonds4

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

3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 142423094) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID142423094
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2ccncc2ncn1Cc1nc(C2[C@H]3CN(c4ccccc4)C[C@@H]23)no1
InChIInChI=1S/C21H18N6O2/c28-21-14-6-7-22-8-17(14)23-12-27(21)11-18-24-20(25-29-18)19-15-9-26(10-16(15)19)13-4-2-1-3-5-13/h1-8,12,15-16,19H,9-11H2/t15-,16+,19?
InChIKeyVLDNGTWOASGEFF-MCPYQZEQSA-N
XLogP2.07
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one (CID 142423094) is 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is O=c1c2ccncc2ncn1Cc1nc(C2[C@H]3CN(c4ccccc4)C[C@@H]23)no1.
What is the InChIKey of 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VLDNGTWOASGEFF-MCPYQZEQSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-21-14-6-7-22-8-17(14)23-12-27(21)11-18-24-20(25-29-18)19-15-9-26(10-16(15)19)13-4-2-1-3-5-13/h1-8,12,15-16,19H,9-11H2/t15-,16+,19?.
What are the key properties of 3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one?
3-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 386.42 g/mol, XLogP of 2.07, 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-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 142423094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).