4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

C19H19F2N5OS — CID 142340826

IUPAC4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(OCC(F)F)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1
InChIInChI=1S/C19H19F2N5OS/c1-11-5-13(27-8-17(20)21)6-18(24-11)26-4-3-15-14(12(26)2)7-22-19(25-15)16-9-28-10-23-16/h5-7,9-10,12,17H,3-4,8H2,1-2H3
InChIKeyPJHSXWZJOXNPNQ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.07
Rot. Bonds5

About 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole

4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 142340826) has the molecular formula C19H19F2N5OS and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID142340826
Molecular FormulaC19H19F2N5OS
Molecular Weight403.46 g/mol
Exact Mass403.13
IUPAC Name4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(OCC(F)F)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1
InChIInChI=1S/C19H19F2N5OS/c1-11-5-13(27-8-17(20)21)6-18(24-11)26-4-3-15-14(12(26)2)7-22-19(25-15)16-9-28-10-23-16/h5-7,9-10,12,17H,3-4,8H2,1-2H3
InChIKeyPJHSXWZJOXNPNQ-UHFFFAOYSA-N
XLogP4.07
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole with MolForge

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Related Compounds

4-[[4-(7-Benzyl-5-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70683178
4-[[4-[7-[[2-Fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70683184
4-[[4-(7-Benzyl-5-fluoropyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70685259
4-[[4-[7-[(2-Fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70685264
4-[[4-[7-[(2,6-Difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70687418
4-[[4-[7-[(3-Methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70691582
4-[[4-(7-Benzylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70693672
4-[[4-[7-[(2,3-Difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70695782
4-[[4-[7-[[2-(Trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70681063
4-[[4-(7-Benzyl-2-methylpyrrolo[2,3-d]pyrimidin-4-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70683180
4-[[4-[7-[[3-(Trifluoromethyl)phenyl]methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70685266
4-[[4-[7-[(3-Fluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 70687415

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 142340826) is 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is Cc1cc(OCC(F)F)cc(N2CCc3nc(-c4cscn4)ncc3C2C)n1.
What is the InChIKey of 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is PJHSXWZJOXNPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5OS/c1-11-5-13(27-8-17(20)21)6-18(24-11)26-4-3-15-14(12(26)2)7-22-19(25-15)16-9-28-10-23-16/h5-7,9-10,12,17H,3-4,8H2,1-2H3.
What are the key properties of 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 403.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 142340826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).