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

C22H20N6O2 — CID 142421672

IUPAC5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12
InChIInChI=1S/C22H20N6O2/c1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14/h2-8,12,15-16,19H,9-11H2,1H3/t15-,16+,19?
InChIKeyBUYFCKGCSXZWDP-MCPYQZEQSA-N
MW400.44 g/mol
LogP2.38
Rot. Bonds4

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

5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421672) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 Name5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID142421672
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12
InChIInChI=1S/C22H20N6O2/c1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14/h2-8,12,15-16,19H,9-11H2,1H3/t15-,16+,19?
InChIKeyBUYFCKGCSXZWDP-MCPYQZEQSA-N
XLogP2.38
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 142421672) is 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 BUYFCKGCSXZWDP-MCPYQZEQSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-13-7-8-23-20-18(13)22(29)28(12-24-20)11-17-25-21(26-30-17)19-15-9-27(10-16(15)19)14-5-3-2-4-6-14/h2-8,12,15-16,19H,9-11H2,1H3/t15-,16+,19?.
What are the key properties of 5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 400.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[(1R,5S)-3-phenyl-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 142421672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).