1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide

C29H20F2N6O4S — CID 118203809

About 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide

1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 118203809) has the molecular formula C29H20F2N6O4S and a molecular weight of 586.58 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 118203809
• Molecular Formula: C29H20F2N6O4S
• Molecular Weight: 586.58 g/mol
• Exact Mass: 586.12
• IUPAC Name: 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCn1cc(C(=O)Nc2ccc(Oc3cc(-c4cncs4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C29H20F2N6O4S/c1-2-35-15-21(28(39)37(29(35)40)20-6-3-18(30)4-7-20)27(38)34-19-5-8-24(22(31)12-19)41-25-11-17(26-13-32-16-42-26)14-36-23(25)9-10-33-36/h3-16H,2H2,1H3,(H,34,38)
• InChIKey: RDKOWABJUBLAOL-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 112.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.58
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide (CID 118203809) is 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3cc(-c4cncs4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is RDKOWABJUBLAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F2N6O4S/c1-2-35-15-21(28(39)37(29(35)40)20-6-3-18(30)4-7-20)27(38)34-19-5-8-24(22(31)12-19)41-25-11-17(26-13-32-16-42-26)14-36-23(25)9-10-33-36/h3-16H,2H2,1H3,(H,34,38).

What are the key properties of 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide?

1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 586.58 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 118203809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).