(3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine

C93H66ClF17I4N20O17S2 — CID 158675167

About (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine

(3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158675167) has the molecular formula C93H66ClF17I4N20O17S2 and a molecular weight of 2665.84 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158675167
• Molecular Formula: C93H66ClF17I4N20O17S2
• Molecular Weight: 2665.84 g/mol
• Exact Mass: 2664.00
• IUPAC Name: (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine
• SMILES: Fc1cnc2[nH]ccc2c1I.NCC1CC1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(F)c(I)c23)c1F.O=C(Cl)c1c(F)ccc([N+](=O)[O-])c1F.O=C(O)c1c(F)ccc([N+](=O)[O-])c1F.O=C(c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncc(F)c(I)c12.O=C(c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncc(F)c(NCC3CC3)c12.O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(F)c(I)c12
• InChI: InChI=1S/C22H22F3N5O3S.C18H14F3IN4O3S.C14H5F3IN3O3.C14H7F3IN3O.C7H2ClF2NO3.C7H3F2NO4.C7H4FIN2.C4H9N/c23-14-5-6-16(29-34(32,33)30-7-1-2-8-30)19(25)18(14)21(31)13-10-27-22-17(13)20(15(24)11-28-22)26-9-12-3-4-12;19-10-3-4-12(25-30(28,29)26-5-1-2-6-26)15(21)14(10)17(27)9-7-23-18-13(9)16(22)11(20)8-24-18;15-6-1-2-8(21(23)24)11(17)10(6)13(22)5-3-19-14-9(5)12(18)7(16)4-20-14;15-6-1-2-8(19)11(17)10(6)13(22)5-3-20-14-9(5)12(18)7(16)4-21-14;8-7(12)5-3(9)1-2-4(6(5)10)11(13)14;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;8-5-3-11-7-4(6(5)9)1-2-10-7;5-3-4-1-2-4/h5-6,10-12,29H,1-4,7-9H2,(H2,26,27,28);3-4,7-8,25H,1-2,5-6H2,(H,23,24);1-4H,(H,19,20);1-4H,19H2,(H,20,21);1-2H;1-2H,(H,11,12);1-3H,(H,10,11);4H,1-3,5H2
• InChIKey: IEKQWYIIOPQFFI-UHFFFAOYSA-N
• XLogP: 20.96
• TPSA: 558.36 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.84
LogP ≤ 5	20.96
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine (CID 158675167) is (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine is Fc1cnc2[nH]ccc2c1I.NCC1CC1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(F)c(I)c23)c1F.O=C(Cl)c1c(F)ccc([N+](=O)[O-])c1F.O=C(O)c1c(F)ccc([N+](=O)[O-])c1F.O=C(c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncc(F)c(I)c12.O=C(c1c(F)ccc(NS(=O)(=O)N2CCCC2)c1F)c1c[nH]c2ncc(F)c(NCC3CC3)c12.O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(F)c(I)c12.

What is the InChIKey of (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is IEKQWYIIOPQFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3S.C18H14F3IN4O3S.C14H5F3IN3O3.C14H7F3IN3O.C7H2ClF2NO3.C7H3F2NO4.C7H4FIN2.C4H9N/c23-14-5-6-16(29-34(32,33)30-7-1-2-8-30)19(25)18(14)21(31)13-10-27-22-17(13)20(15(24)11-28-22)26-9-12-3-4-12;19-10-3-4-12(25-30(28,29)26-5-1-2-6-26)15(21)14(10)17(27)9-7-23-18-13(9)16(22)11(20)8-24-18;15-6-1-2-8(21(23)24)11(17)10(6)13(22)5-3-19-14-9(5)12(18)7(16)4-20-14;15-6-1-2-8(19)11(17)10(6)13(22)5-3-20-14-9(5)12(18)7(16)4-21-14;8-7(12)5-3(9)1-2-4(6(5)10)11(13)14;8-3-1-2-4(10(13)14)6(9)5(3)7(11)12;8-5-3-11-7-4(6(5)9)1-2-10-7;5-3-4-1-2-4/h5-6,10-12,29H,1-4,7-9H2,(H2,26,27,28);3-4,7-8,25H,1-2,5-6H2,(H,23,24);1-4H,(H,19,20);1-4H,19H2,(H,20,21);1-2H;1-2H,(H,11,12);1-3H,(H,10,11);4H,1-3,5H2.

What are the key properties of (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine?

(3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2665.84 g/mol, XLogP of 20.96, 23 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-2,6-difluorophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;cyclopropylmethanamine;N-[3-[4-(cyclopropylmethylamino)-5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]pyrrolidine-1-sulfonamide;N-[2,4-difluoro-3-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]pyrrolidine-1-sulfonamide;2,6-difluoro-3-nitrobenzoic acid;2,6-difluoro-3-nitrobenzoyl chloride;(2,6-difluoro-3-nitrophenyl)-(5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;5-fluoro-4-iodo-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158675167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).