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

C18H16F3N5OS — CID 139461610

IUPAC4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC(F)F)cc(F)n1
InChIInChI=1S/C18H16F3N5OS/c1-10-12-6-22-18(14-8-28-9-23-14)24-13(12)2-3-26(10)17-5-11(4-16(21)25-17)27-7-15(19)20/h4-6,8-10,15H,2-3,7H2,1H3
InChIKeyNHLIVBZQGXBOFK-UHFFFAOYSA-N
MW407.42 g/mol
LogP3.90
Rot. Bonds5

About 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 139461610) has the molecular formula C18H16F3N5OS and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID139461610
Molecular FormulaC18H16F3N5OS
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Name4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC(F)F)cc(F)n1
InChIInChI=1S/C18H16F3N5OS/c1-10-12-6-22-18(14-8-28-9-23-14)24-13(12)2-3-26(10)17-5-11(4-16(21)25-17)27-7-15(19)20/h4-6,8-10,15H,2-3,7H2,1H3
InChIKeyNHLIVBZQGXBOFK-UHFFFAOYSA-N
XLogP3.90
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 139461610) is 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-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-fluoro-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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(OCC(F)F)cc(F)n1.
What is the InChIKey of 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is NHLIVBZQGXBOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5OS/c1-10-12-6-22-18(14-8-28-9-23-14)24-13(12)2-3-26(10)17-5-11(4-16(21)25-17)27-7-15(19)20/h4-6,8-10,15H,2-3,7H2,1H3.
What are the key properties of 4-[6-[4-(2,2-difluoroethoxy)-6-fluoro-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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 407.42 g/mol, XLogP of 3.90, 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-fluoro-2-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 139461610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).