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

C30H26F2N6O4 — CID 134555924

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

1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 134555924) has the molecular formula C30H26F2N6O4 and a molecular weight of 572.57 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 134555924
• Molecular Formula: C30H26F2N6O4
• Molecular Weight: 572.57 g/mol
• Exact Mass: 572.20
• IUPAC Name: 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide
• SMILES: CCn1cc(C(=O)Nc2ccc(Oc3cc(N4CCCC4)cn4nccc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C30H26F2N6O4/c1-2-35-18-23(29(40)38(30(35)41)21-8-5-19(31)6-9-21)28(39)34-20-7-10-26(24(32)15-20)42-27-16-22(36-13-3-4-14-36)17-37-25(27)11-12-33-37/h5-12,15-18H,2-4,13-14H2,1H3,(H,34,39)
• InChIKey: ZSCTVOMIOSMFFF-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 102.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.57
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide (CID 134555924) is 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[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-pyrrolidin-1-ylpyrazolo[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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide is CCn1cc(C(=O)Nc2ccc(Oc3cc(N4CCCC4)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-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is ZSCTVOMIOSMFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O4/c1-2-35-18-23(29(40)38(30(35)41)21-8-5-19(31)6-9-21)28(39)34-20-7-10-26(24(32)15-20)42-27-16-22(36-13-3-4-14-36)17-37-25(27)11-12-33-37/h5-12,15-18H,2-4,13-14H2,1H3,(H,34,39).

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

1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 572.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-(4-fluorophenyl)-N-[3-fluoro-4-(6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-4-yl)oxyphenyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 134555924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).