1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide

C79H78F3N23O10 — CID 167705884

About 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide

1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 167705884) has the molecular formula C79H78F3N23O10 and a molecular weight of 1566.64 g/mol. Its IUPAC name is 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide
• PubChem CID: 167705884
• Molecular Formula: C79H78F3N23O10
• Molecular Weight: 1566.64 g/mol
• Exact Mass: 1565.63
• IUPAC Name: 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC(F)(F)F)nc2cc(C(N)=O)c3oc(C)cc3c21.Cc1cc(C(=O)NC2=Nc3cc(C(N)=O)ccc3C2C/C=C/Cn2c(NC(=O)c3cc(C)nn3CC3CC3)nc3cc(C(N)=O)c4oc(C)cc4c32)n(CC2CC2)n1
• InChI: InChI=1S/C42H43N11O5.C37H35F3N12O5/c1-21-14-33(52(49-21)19-24-7-8-24)40(56)47-39-28(27-12-11-26(37(43)54)17-31(27)45-39)6-4-5-13-51-35-29-16-23(3)58-36(29)30(38(44)55)18-32(35)46-42(51)48-41(57)34-15-22(2)50-53(34)20-25-9-10-25;1-5-51-27(12-18(2)47-51)33(55)45-35-43-24-15-21(31(41)53)8-9-26(24)49(35)10-6-7-11-50-29-22-14-20(4)57-30(22)23(32(42)54)16-25(29)44-36(50)46-34(56)28-13-19(3)48-52(28)17-37(38,39)40/h4-5,11-12,14-18,24-25,28H,6-10,13,19-20H2,1-3H3,(H2,43,54)(H2,44,55)(H,45,47,56)(H,46,48,57);6-9,12-16H,5,10-11,17H2,1-4H3,(H2,41,53)(H2,42,54)(H,43,45,55)(H,44,46,56)/b5-4+;7-6+
• InChIKey: ZCFARGSNQQKASY-SECQJQBISA-N
• XLogP: 10.57
• TPSA: 452.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1566.64
LogP ≤ 5	10.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide?

The IUPAC name of 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide (CID 167705884) is 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide.

What is the SMILES notation for 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide?

The canonical SMILES for 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC(F)(F)F)nc2cc(C(N)=O)c3oc(C)cc3c21.Cc1cc(C(=O)NC2=Nc3cc(C(N)=O)ccc3C2C/C=C/Cn2c(NC(=O)c3cc(C)nn3CC3CC3)nc3cc(C(N)=O)c4oc(C)cc4c32)n(CC2CC2)n1.

What is the InChIKey of 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide?

The InChIKey is ZCFARGSNQQKASY-SECQJQBISA-N. The full InChI is InChI=1S/C42H43N11O5.C37H35F3N12O5/c1-21-14-33(52(49-21)19-24-7-8-24)40(56)47-39-28(27-12-11-26(37(43)54)17-31(27)45-39)6-4-5-13-51-35-29-16-23(3)58-36(29)30(38(44)55)18-32(35)46-42(51)48-41(57)34-15-22(2)50-53(34)20-25-9-10-25;1-5-51-27(12-18(2)47-51)33(55)45-35-43-24-15-21(31(41)53)8-9-26(24)49(35)10-6-7-11-50-29-22-14-20(4)57-30(22)23(32(42)54)16-25(29)44-36(50)46-34(56)28-13-19(3)48-52(28)17-37(38,39)40/h4-5,11-12,14-18,24-25,28H,6-10,13,19-20H2,1-3H3,(H2,43,54)(H2,44,55)(H,45,47,56)(H,46,48,57);6-9,12-16H,5,10-11,17H2,1-4H3,(H2,41,53)(H2,42,54)(H,43,45,55)(H,44,46,56)/b5-4+;7-6+.

What are the key properties of 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide?

1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 1566.64 g/mol, XLogP of 10.57, 25 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-4-[6-carbamoyl-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-3H-indol-3-yl]but-2-enyl]-2-[[2-(cyclopropylmethyl)-5-methylpyrazole-3-carbonyl]amino]-7-methylfuro[3,2-e]benzimidazole-5-carboxamide;1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-7-methyl-2-[[5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonyl]amino]furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 167705884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).