1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide

C26H25FN6O4 — CID 144912365

About 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide (PubChem CID 144912365) has the molecular formula C26H25FN6O4 and a molecular weight of 504.52 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide
• PubChem CID: 144912365
• Molecular Formula: C26H25FN6O4
• Molecular Weight: 504.52 g/mol
• Exact Mass: 504.19
• IUPAC Name: 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide
• SMILES: C=C/C=C(\C=C)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cccc(=O)[nH]1
• InChI: InChI=1S/C26H25FN6O4/c1-3-6-15(4-2)16-9-10-19-18(11-16)24(25(28)36)31-33(19)14-23(35)32-13-17(27)12-20(32)26(37)30-21-7-5-8-22(34)29-21/h3-11,17,20H,1-2,12-14H2,(H2,28,36)(H2,29,30,34,37)/b15-6+/t17-,20+/m1/s1
• InChIKey: DVJLWUYZPMNUID-DJIWTEILSA-N
• XLogP: 2.16
• TPSA: 143.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.52
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide?

The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide (CID 144912365) is 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide.

What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide?

The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide is C=C/C=C(\C=C)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cccc(=O)[nH]1.

What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide?

The InChIKey is DVJLWUYZPMNUID-DJIWTEILSA-N. The full InChI is InChI=1S/C26H25FN6O4/c1-3-6-15(4-2)16-9-10-19-18(11-16)24(25(28)36)31-33(19)14-23(35)32-13-17(27)12-20(32)26(37)30-21-7-5-8-22(34)29-21/h3-11,17,20H,1-2,12-14H2,(H2,28,36)(H2,29,30,34,37)/b15-6+/t17-,20+/m1/s1.

What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide?

1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide has a molecular weight of 504.52 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S,4R)-4-fluoro-2-[(6-oxo-1H-pyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-[(3E)-hexa-1,3,5-trien-3-yl]indazole-3-carboxamide is sourced from PubChem (CID 144912365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).