4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

C55H47ClF2N10O6 — CID 138636299

About 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 138636299) has the molecular formula C55H47ClF2N10O6 and a molecular weight of 1017.49 g/mol. Its IUPAC name is 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 138636299
• Molecular Formula: C55H47ClF2N10O6
• Molecular Weight: 1017.49 g/mol
• Exact Mass: 1016.33
• IUPAC Name: 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
• SMILES: Cc1ccc(-c2cccc3c2c(C(N)=O)nn3CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)cc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F
• InChI: InChI=1S/C55H47ClF2N10O6/c1-30-19-20-31(25-39(30)37-13-7-16-42(51(37)58)62-46(70)26-65(32-21-22-32)47(71)28-67-43-17-5-3-10-38(43)52(63-67)54(59)73)34-11-8-18-44-49(34)53(55(60)74)64-68(44)29-48(72)66(33-23-24-33)27-45(69)61-41-15-6-12-36(50(41)57)35-9-2-4-14-40(35)56/h2-20,25,32-33H,21-24,26-29H2,1H3,(H2,59,73)(H2,60,74)(H,61,69)(H,62,70)
• InChIKey: XWVLKNBBRAXVTE-UHFFFAOYSA-N
• XLogP: 8.08
• TPSA: 220.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 17
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.49
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (CID 138636299) is 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is Cc1ccc(-c2cccc3c2c(C(N)=O)nn3CC(=O)N(CC(=O)Nc2cccc(-c3ccccc3Cl)c2F)C2CC2)cc1-c1cccc(NC(=O)CN(C(=O)Cn2nc(C(N)=O)c3ccccc32)C2CC2)c1F.

What is the InChIKey of 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is XWVLKNBBRAXVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47ClF2N10O6/c1-30-19-20-31(25-39(30)37-13-7-16-42(51(37)58)62-46(70)26-65(32-21-22-32)47(71)28-67-43-17-5-3-10-38(43)52(63-67)54(59)73)34-11-8-18-44-49(34)53(55(60)74)64-68(44)29-48(72)66(33-23-24-33)27-45(69)61-41-15-6-12-36(50(41)57)35-9-2-4-14-40(35)56/h2-20,25,32-33H,21-24,26-29H2,1H3,(H2,59,73)(H2,60,74)(H,61,69)(H,62,70).

What are the key properties of 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?

4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 1017.49 g/mol, XLogP of 8.08, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[[2-[[2-(3-carbamoylindazol-1-yl)acetyl]-cyclopropylamino]acetyl]amino]-2-fluorophenyl]-4-methylphenyl]-1-[2-[[2-[3-(2-chlorophenyl)-2-fluoroanilino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 138636299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).