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

C30H22F2N6O4S — CID 118203927

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

3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 118203927) has the molecular formula C30H22F2N6O4S and a molecular weight of 600.61 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• PubChem CID: 118203927
• Molecular Formula: C30H22F2N6O4S
• Molecular Weight: 600.61 g/mol
• Exact Mass: 600.14
• IUPAC Name: 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
• SMILES: CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(-c4cscn4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H22F2N6O4S/c1-17(2)36-14-22(29(40)38(30(36)41)21-6-3-19(31)4-7-21)28(39)35-20-5-8-26(23(32)12-20)42-27-11-18(24-15-43-16-33-24)13-37-25(27)9-10-34-37/h3-17H,1-2H3,(H,35,39)
• InChIKey: UTESHBALWOIEFS-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 112.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.61
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide (CID 118203927) is 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide.

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

The canonical SMILES for 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(-c4cscn4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.

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

The InChIKey is UTESHBALWOIEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N6O4S/c1-17(2)36-14-22(29(40)38(30(36)41)21-6-3-19(31)4-7-21)28(39)35-20-5-8-26(23(32)12-20)42-27-11-18(24-15-43-16-33-24)13-37-25(27)9-10-34-37/h3-17H,1-2H3,(H,35,39).

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

3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 600.61 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-N-[3-fluoro-4-[6-(1,3-thiazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]oxyphenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 118203927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).