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

C18H18FN5OS — CID 139461600

IUPAC5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCOc1cc(F)nc(N2CCc3nc(-c4cnc(C)s4)ncc3C2C)c1
InChIInChI=1S/C18H18FN5OS/c1-10-13-8-21-18(15-9-20-11(2)26-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17/h6-10H,4-5H2,1-3H3
InChIKeyWKSGUNQALVAETM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.57
Rot. Bonds3

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

5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 139461600) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole
PubChem CID139461600
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole
SMILESCOc1cc(F)nc(N2CCc3nc(-c4cnc(C)s4)ncc3C2C)c1
InChIInChI=1S/C18H18FN5OS/c1-10-13-8-21-18(15-9-20-11(2)26-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17/h6-10H,4-5H2,1-3H3
InChIKeyWKSGUNQALVAETM-UHFFFAOYSA-N
XLogP3.57
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole (CID 139461600) is 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole is COc1cc(F)nc(N2CCc3nc(-c4cnc(C)s4)ncc3C2C)c1.
What is the InChIKey of 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is WKSGUNQALVAETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-10-13-8-21-18(15-9-20-11(2)26-15)22-14(13)4-5-24(10)17-7-12(25-3)6-16(19)23-17/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole?
5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 371.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(6-fluoro-4-methoxy-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 139461600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).