6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

C73H75BCl3F9IN18O8- — CID 159201197

IUPAC6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cncc(C(F)F)c1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1cncc(C(F)F)c1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Nc1cncc(C(F)F)c1.[I-]
InChIInChI=1S/C25H22F3N7O2.C17H18ClF3N4O2.C14H16BN3O2.C11H13Cl2FN2O2.C6H6F2N2.HI/c1-25(2,37)22(26)13-32-24(36)18-12-31-20(21-4-3-17-5-14(8-29)9-33-35(17)21)7-19(18)34-16-6-15(23(27)28)10-30-11-16;1-17(2,27)13(19)8-24-16(26)11-7-23-14(18)4-12(11)25-10-3-9(15(20)21)5-22-6-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;7-6(8)4-1-5(9)3-10-2-4;/h3-7,9-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36);3-7,13,15,27H,8H2,1-2H3,(H,23,25)(H,24,26);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);1-3,6H,9H2;1H/p-1/t22-;13-;;8-;;/m11.1../s1
InChIKeyRFQMELCRVDNTRC-HFFQXUGTSA-M
MW1747.58 g/mol
LogP10.17
Rot. Bonds21

About 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide

6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (PubChem CID 159201197) has the molecular formula C73H75BCl3F9IN18O8- and a molecular weight of 1747.58 g/mol. Its IUPAC name is 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide.

Molecular Properties

Compound Name6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
PubChem CID159201197
Molecular FormulaC73H75BCl3F9IN18O8-
Molecular Weight1747.58 g/mol
Exact Mass1745.41
IUPAC Name6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cncc(C(F)F)c1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1cncc(C(F)F)c1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Nc1cncc(C(F)F)c1.[I-]
InChIInChI=1S/C25H22F3N7O2.C17H18ClF3N4O2.C14H16BN3O2.C11H13Cl2FN2O2.C6H6F2N2.HI/c1-25(2,37)22(26)13-32-24(36)18-12-31-20(21-4-3-17-5-14(8-29)9-33-35(17)21)7-19(18)34-16-6-15(23(27)28)10-30-11-16;1-17(2,27)13(19)8-24-16(26)11-7-23-14(18)4-12(11)25-10-3-9(15(20)21)5-22-6-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;7-6(8)4-1-5(9)3-10-2-4;/h3-7,9-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36);3-7,13,15,27H,8H2,1-2H3,(H,23,25)(H,24,26);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);1-3,6H,9H2;1H/p-1/t22-;13-;;8-;;/m11.1../s1
InChIKeyRFQMELCRVDNTRC-HFFQXUGTSA-M
XLogP10.17
TPSA376.05 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001747.58
LogP ≤ 510.17
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?
The IUPAC name of 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide (CID 159201197) is 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide.
What is the SMILES notation for 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?
The canonical SMILES for 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cncc(C(F)F)c1.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Cl.CC(C)(O)[C@H](F)CNC(=O)c1cnc(Cl)cc1Nc1cncc(C(F)F)c1.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Nc1cncc(C(F)F)c1.[I-].
What is the InChIKey of 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?
The InChIKey is RFQMELCRVDNTRC-HFFQXUGTSA-M. The full InChI is InChI=1S/C25H22F3N7O2.C17H18ClF3N4O2.C14H16BN3O2.C11H13Cl2FN2O2.C6H6F2N2.HI/c1-25(2,37)22(26)13-32-24(36)18-12-31-20(21-4-3-17-5-14(8-29)9-33-35(17)21)7-19(18)34-16-6-15(23(27)28)10-30-11-16;1-17(2,27)13(19)8-24-16(26)11-7-23-14(18)4-12(11)25-10-3-9(15(20)21)5-22-6-10;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-11(2,18)8(14)5-16-10(17)6-4-15-9(13)3-7(6)12;7-6(8)4-1-5(9)3-10-2-4;/h3-7,9-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36);3-7,13,15,27H,8H2,1-2H3,(H,23,25)(H,24,26);5-7,9H,1-4H3;3-4,8,18H,5H2,1-2H3,(H,16,17);1-3,6H,9H2;1H/p-1/t22-;13-;;8-;;/m11.1../s1.
What are the key properties of 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide?
6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide has a molecular weight of 1747.58 g/mol, XLogP of 10.17, 21 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[5-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;4,6-dichloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide;5-(difluoromethyl)pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide is sourced from PubChem (CID 159201197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).