5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole

C22H25N5O2 — CID 153345009

IUPAC5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESC=C1C2=C(CNCC2)N=CN1Cc1nc(C2CO[C@@H](c3ccc(C)cc3)C2)no1
InChIInChI=1S/C22H25N5O2/c1-14-3-5-16(6-4-14)20-9-17(12-28-20)22-25-21(29-26-22)11-27-13-24-19-10-23-8-7-18(19)15(27)2/h3-6,13,17,20,23H,2,7-12H2,1H3/t17?,20-/m1/s1
InChIKeyLZYRCGYHGMZFSO-UUSAFJCLSA-N
MW391.48 g/mol
LogP3.23
Rot. Bonds4

About 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole

5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 153345009) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID153345009
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole
SMILESC=C1C2=C(CNCC2)N=CN1Cc1nc(C2CO[C@@H](c3ccc(C)cc3)C2)no1
InChIInChI=1S/C22H25N5O2/c1-14-3-5-16(6-4-14)20-9-17(12-28-20)22-25-21(29-26-22)11-27-13-24-19-10-23-8-7-18(19)15(27)2/h3-6,13,17,20,23H,2,7-12H2,1H3/t17?,20-/m1/s1
InChIKeyLZYRCGYHGMZFSO-UUSAFJCLSA-N
XLogP3.23
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

potassium 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(2R)-2-(4-methylphenyl)-3,5-dihydro-2H-furan-4-id-4-yl]-1,2,4-oxadiazole
CID 153345008
N'-[1-[[3-[(5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-methylidenepyrimidin-4-yl]ethanimidamide
CID 153345129
5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 157095916
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-b]pyridin-2-amine
CID 157083864
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile
CID 157341060
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrazolo[5,1-f][1,2,4]triazine-5-carbonitrile
CID 155621060
5-(chloromethyl)-3-[(3S,5S)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazole
CID 176544804
2-amino-3-[[3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
CID 155883543
4-[(2R,4R)-4-[5-[(5-methyl-4-oxo-1,2,4a,5,6,7-hexahydropyrazolo[5,1-f][1,2,4]triazin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]oxolan-2-yl]benzonitrile
CID 155883554
3-[[3-[(3R,5R)-5-(1H-indazol-6-yl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one
CID 139486627
7-[3-(aminomethyl)azetidin-1-yl]-3-[[3-[(3R,5R)-5-(4-chlorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1,2-dihydroimidazo[5,1-f][1,2,4]triazin-4-one
CID 155883540

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole (CID 153345009) is 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole is C=C1C2=C(CNCC2)N=CN1Cc1nc(C2CO[C@@H](c3ccc(C)cc3)C2)no1.
What is the InChIKey of 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is LZYRCGYHGMZFSO-UUSAFJCLSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-14-3-5-16(6-4-14)20-9-17(12-28-20)22-25-21(29-26-22)11-27-13-24-19-10-23-8-7-18(19)15(27)2/h3-6,13,17,20,23H,2,7-12H2,1H3/t17?,20-/m1/s1.
What are the key properties of 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole?
5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 391.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylidene-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)methyl]-3-[(5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 153345009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).