5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C24H19N5O2 — CID 154985072

IUPAC5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(CC45C6=C(c7ccccc7)C[C@@H]4[C@H]65)no3)c(=O)c12
InChIInChI=1S/C24H19N5O2/c1-13-7-8-25-22-19(13)23(30)29(12-26-22)11-18-27-17(28-31-18)10-24-16-9-15(20(24)21(16)24)14-5-3-2-4-6-14/h2-8,12,16,21H,9-11H2,1H3/t16-,21-,24?/m1/s1
InChIKeyMNHCMQPFOOJCQJ-GHBAKLGXSA-N
MW409.45 g/mol
LogP3.18
Rot. Bonds5

About 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 154985072) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID154985072
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccnc2ncn(Cc3nc(CC45C6=C(c7ccccc7)C[C@@H]4[C@H]65)no3)c(=O)c12
InChIInChI=1S/C24H19N5O2/c1-13-7-8-25-22-19(13)23(30)29(12-26-22)11-18-27-17(28-31-18)10-24-16-9-15(20(24)21(16)24)14-5-3-2-4-6-14/h2-8,12,16,21H,9-11H2,1H3/t16-,21-,24?/m1/s1
InChIKeyMNHCMQPFOOJCQJ-GHBAKLGXSA-N
XLogP3.18
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-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-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 154985072) is 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccnc2ncn(Cc3nc(CC45C6=C(c7ccccc7)C[C@@H]4[C@H]65)no3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is MNHCMQPFOOJCQJ-GHBAKLGXSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-13-7-8-25-22-19(13)23(30)29(12-26-22)11-18-27-17(28-31-18)10-24-16-9-15(20(24)21(16)24)14-5-3-2-4-6-14/h2-8,12,16,21H,9-11H2,1H3/t16-,21-,24?/m1/s1.
What are the key properties of 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 409.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[3-[[(5R,6S)-3-phenyl-1-tricyclo[3.1.0.02,6]hex-2-enyl]methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 154985072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).