cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C83H71ClF3N17O10S — CID 158952640

About cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 158952640) has the molecular formula C83H71ClF3N17O10S and a molecular weight of 1591.10 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 158952640
• Molecular Formula: C83H71ClF3N17O10S
• Molecular Weight: 1591.10 g/mol
• Exact Mass: 1589.49
• IUPAC Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-n3cnc(C)n3)c1F)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-n4cnc(C)n4)c3F)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12.O=C(Cl)C1CC1
• InChI: InChI=1S/C38H31FN6O4S.C23H20FN5O3.C18H15FN6O2.C4H5ClO/c1-26-41-25-44(42-26)33-20-12-19-30(35(33)39)34-21-31-32(38(46)49-2)22-40-37(36(31)45(34)50(47,48)29-17-10-5-11-18-29)43(23-27-13-6-3-7-14-27)24-28-15-8-4-9-16-28;1-29-11-13(9-26-29)14-4-3-5-15(19(14)24)18-8-16-17(23(31)32-2)10-25-21(20(16)27-18)28-22(30)12-6-7-12;1-9-22-8-25(24-9)14-5-3-4-10(15(14)19)13-6-11-12(18(26)27-2)7-21-17(20)16(11)23-13;5-4(6)3-1-2-3/h3-22,25H,23-24H2,1-2H3;3-5,8-12,27H,6-7H2,1-2H3,(H,25,28,30);3-8,23H,1-2H3,(H2,20,21);3H,1-2H2
• InChIKey: JLPWFBAKPTXFEV-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 342.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1591.10
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 158952640) is cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-n3cnc(C)n3)c1F)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-n4cnc(C)n4)c3F)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4cnn(C)c4)c3F)cc12.O=C(Cl)C1CC1.

What is the InChIKey of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is JLPWFBAKPTXFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31FN6O4S.C23H20FN5O3.C18H15FN6O2.C4H5ClO/c1-26-41-25-44(42-26)33-20-12-19-30(35(33)39)34-21-31-32(38(46)49-2)22-40-37(36(31)45(34)50(47,48)29-17-10-5-11-18-29)43(23-27-13-6-3-7-14-27)24-28-15-8-4-9-16-28;1-29-11-13(9-26-29)14-4-3-5-15(19(14)24)18-8-16-17(23(31)32-2)10-25-21(20(16)27-18)28-22(30)12-6-7-12;1-9-22-8-25(24-9)14-5-3-4-10(15(14)19)13-6-11-12(18(26)27-2)7-21-17(20)16(11)23-13;5-4(6)3-1-2-3/h3-22,25H,23-24H2,1-2H3;3-5,8-12,27H,6-7H2,1-2H3,(H,25,28,30);3-8,23H,1-2H3,(H2,20,21);3H,1-2H2.

What are the key properties of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 1591.10 g/mol, XLogP of 14.66, 19 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 158952640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).