1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C30H25F2N7O4 — CID 137256150

About 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide

1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 137256150) has the molecular formula C30H25F2N7O4 and a molecular weight of 585.57 g/mol. Its IUPAC name is 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• PubChem CID: 137256150
• Molecular Formula: C30H25F2N7O4
• Molecular Weight: 585.57 g/mol
• Exact Mass: 585.19
• IUPAC Name: 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
• SMILES: [H]/N=C/C=C1\NC=C(c2cnn(C)c2)C=C1Oc1ccc(NC(=O)c2cn(CC)c(=O)n(-c3ccc(F)cc3)c2=O)cc1F
• InChI: InChI=1S/C30H25F2N7O4/c1-3-38-17-23(29(41)39(30(38)42)22-7-4-20(31)5-8-22)28(40)36-21-6-9-26(24(32)13-21)43-27-12-18(14-34-25(27)10-11-33)19-15-35-37(2)16-19/h4-17,33-34H,3H2,1-2H3,(H,36,40)/b25-10-,33-11+
• InChIKey: ZGJXGMZJMXUIKR-REECEYIVSA-N
• XLogP: 3.72
• TPSA: 136.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.57
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The IUPAC name of 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 137256150) is 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

What is the SMILES notation for 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The canonical SMILES for 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is [H]/N=C/C=C1\NC=C(c2cnn(C)c2)C=C1Oc1ccc(NC(=O)c2cn(CC)c(=O)n(-c3ccc(F)cc3)c2=O)cc1F.

What is the InChIKey of 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

The InChIKey is ZGJXGMZJMXUIKR-REECEYIVSA-N. The full InChI is InChI=1S/C30H25F2N7O4/c1-3-38-17-23(29(41)39(30(38)42)22-7-4-20(31)5-8-22)28(40)36-21-6-9-26(24(32)13-21)43-27-12-18(14-34-25(27)10-11-33)19-15-35-37(2)16-19/h4-17,33-34H,3H2,1-2H3,(H,36,40)/b25-10-,33-11+.

What are the key properties of 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide?

1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 585.57 g/mol, XLogP of 3.72, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[3-fluoro-4-[[(2Z)-2-(2-iminoethylidene)-5-(1-methylpyrazol-4-yl)-1H-pyridin-3-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 137256150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).