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

C22H24KN5O2 — CID 153345008

IUPACpotassium 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
SMILESC=C1C2=C(CNCC2)N=CN1Cc1nc([C-]2CO[C@@H](c3ccc(C)cc3)C2)no1.[K+]
InChIInChI=1S/C22H24N5O2.K/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;/h3-6,13,20,23H,2,7-12H2,1H3;/q-1;+1/t20-;/m1./s1
InChIKeyNIFDFQHOHWHJEA-VEIFNGETSA-N
MW429.57 g/mol
LogP0.07
Rot. Bonds4

About 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

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 (PubChem CID 153345008) has the molecular formula C22H24KN5O2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namepotassium 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
PubChem CID153345008
Molecular FormulaC22H24KN5O2
Molecular Weight429.57 g/mol
Exact Mass429.16
IUPAC Namepotassium 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
SMILESC=C1C2=C(CNCC2)N=CN1Cc1nc([C-]2CO[C@@H](c3ccc(C)cc3)C2)no1.[K+]
InChIInChI=1S/C22H24N5O2.K/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;/h3-6,13,20,23H,2,7-12H2,1H3;/q-1;+1/t20-;/m1./s1
InChIKeyNIFDFQHOHWHJEA-VEIFNGETSA-N
XLogP0.07
TPSA75.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-8H-quinazoline-4,7-dione
CID 157085114
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-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-[(4-ethenylidene-6,7-dihydro-5H-pyrimido[4,5-b]azepin-3-yl)methyl]-3-[(3R,5R)-3-ethyl-5-phenyloxolan-3-yl]-1,2,4-oxadiazole
CID 153345105
2-(4-fluorophenyl)-5-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-4-one
CID 74526534
5-(4-methylphenyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 43348682
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
5-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 39976721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C2=C(CNCC2)N=CN1Cc1nc([C-]2CO[C@@H](c3ccc(C)cc3)C2)no1.[K+].
What is the InChIKey of 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?
The InChIKey is NIFDFQHOHWHJEA-VEIFNGETSA-N. The full InChI is InChI=1S/C22H24N5O2.K/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;/h3-6,13,20,23H,2,7-12H2,1H3;/q-1;+1/t20-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 429.57 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153345008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).