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

C21H23FN6OS — CID 142340808

IUPAC4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOC1CCN(c2cc(N3CCc4nc(-c5cscn5)ncc4C3C)cc(F)n2)C1
InChIInChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)14-7-19(22)26-20(8-14)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3
InChIKeyGGRPQVSFKPQWEA-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.48
Rot. Bonds4

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

4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 142340808) has the molecular formula C21H23FN6OS and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID142340808
Molecular FormulaC21H23FN6OS
Molecular Weight426.52 g/mol
Exact Mass426.16
IUPAC Name4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
SMILESCOC1CCN(c2cc(N3CCc4nc(-c5cscn5)ncc4C3C)cc(F)n2)C1
InChIInChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)14-7-19(22)26-20(8-14)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3
InChIKeyGGRPQVSFKPQWEA-UHFFFAOYSA-N
XLogP3.48
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 142340808) is 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-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-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is COC1CCN(c2cc(N3CCc4nc(-c5cscn5)ncc4C3C)cc(F)n2)C1.
What is the InChIKey of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is GGRPQVSFKPQWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6OS/c1-13-16-9-23-21(18-11-30-12-24-18)25-17(16)4-6-28(13)14-7-19(22)26-20(8-14)27-5-3-15(10-27)29-2/h7-9,11-13,15H,3-6,10H2,1-2H3.
What are the key properties of 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?
4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 426.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-fluoro-6-(3-methoxypyrrolidin-1-yl)-4-pyridinyl]-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 142340808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).