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

C60H63F3N18S3 — CID 157485468

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

4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 157485468) has the molecular formula C60H63F3N18S3 and a molecular weight of 1189.48 g/mol. Its IUPAC name is 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

• Compound Name: 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
• PubChem CID: 157485468
• Molecular Formula: C60H63F3N18S3
• Molecular Weight: 1189.48 g/mol
• Exact Mass: 1188.46
• IUPAC Name: 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole
• SMILES: CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCCC2)n1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCCC2)c1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(N2CCCC2)cc(F)n1
• InChI: InChI=1S/3C20H21FN6S/c1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)14-8-18(21)25-19(9-14)26-5-2-3-6-26;1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(8-18(21)25-19)26-5-2-3-6-26;1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(21)8-18(25-19)26-5-2-3-6-26/h3*8-13H,2-7H2,1H3
• InChIKey: BWQWDQBMPKYOEA-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 174.12 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.48
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-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-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole (CID 157485468) is 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-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-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-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-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)cc(N2CCCC2)n1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(F)nc(N2CCCC2)c1.CC1c2cnc(-c3cscn3)nc2CCN1c1cc(N2CCCC2)cc(F)n1.

What is the InChIKey of 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

The InChIKey is BWQWDQBMPKYOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H21FN6S/c1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)14-8-18(21)25-19(9-14)26-5-2-3-6-26;1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(8-18(21)25-19)26-5-2-3-6-26;1-13-15-10-22-20(17-11-28-12-23-17)24-16(15)4-7-27(13)19-9-14(21)8-18(25-19)26-5-2-3-6-26/h3*8-13H,2-7H2,1H3.

What are the key properties of 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole?

4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 1189.48 g/mol, XLogP of 11.57, 9 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(2-fluoro-6-pyrrolidin-1-yl-4-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(4-fluoro-6-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole;4-[6-(6-fluoro-4-pyrrolidin-1-yl-2-pyridinyl)-5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 157485468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).