[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

C22H17FN6O3 — CID 92597196

IUPAC[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H17FN6O3/c1-13-19(28-32-27-13)22(30)29-11-8-18-17(12-29)21(31-16-4-2-15(23)3-5-16)26-20(25-18)14-6-9-24-10-7-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyWUJFQLPWUMJBPV-UHFFFAOYSA-N
MW432.42 g/mol
LogP3.36
Rot. Bonds4

About [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone

[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 92597196) has the molecular formula C22H17FN6O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
PubChem CID92597196
Molecular FormulaC22H17FN6O3
Molecular Weight432.42 g/mol
Exact Mass432.13
IUPAC Name[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
SMILESCc1nonc1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1
InChIInChI=1S/C22H17FN6O3/c1-13-19(28-32-27-13)22(30)29-11-8-18-17(12-29)21(31-16-4-2-15(23)3-5-16)26-20(25-18)14-6-9-24-10-7-14/h2-7,9-10H,8,11-12H2,1H3
InChIKeyWUJFQLPWUMJBPV-UHFFFAOYSA-N
XLogP3.36
TPSA107.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone with MolForge

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Related Compounds

[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(1-methylpyrazol-3-yl)methanone
CID 92567170
2-(diethylamino)-1-[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92590944
1-[4-(4-fluorophenoxy)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 92552194
[2-(4-fluorophenyl)-4-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-pyridin-4-ylmethanone
CID 97404713
(4-chlorophenyl)-[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050291
(4-fluorophenyl)-[2-(4-methoxyphenyl)-4-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 134792089
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methoxyphenyl)methanone
CID 46050294
4-(4-fluoro-3-methylphenoxy)-2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 133376807
2-(4-fluorophenyl)-1-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 46073296
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(1R,2S)-2-methylcyclopropyl]methanone
CID 92583619
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 71691416
[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 92570243

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone (CID 92597196) is [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is Cc1nonc1C(=O)N1CCc2nc(-c3ccncc3)nc(Oc3ccc(F)cc3)c2C1.
What is the InChIKey of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is WUJFQLPWUMJBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O3/c1-13-19(28-32-27-13)22(30)29-11-8-18-17(12-29)21(31-16-4-2-15(23)3-5-16)26-20(25-18)14-6-9-24-10-7-14/h2-7,9-10H,8,11-12H2,1H3.
What are the key properties of [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone?
[4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 432.42 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 92597196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).