6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide

C24H21F2N7O2 — CID 138703783

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(F)cn1
InChIInChI=1S/C24H21F2N7O2/c1-24(2,35)21(26)13-30-23(34)17-12-28-19(8-18(17)32-22-6-3-15(25)11-29-22)20-5-4-16-7-14(9-27)10-31-33(16)20/h3-8,10-12,21,35H,13H2,1-2H3,(H,30,34)(H,28,29,32)/t21-/m1/s1
InChIKeyLBZAOBYCMUCSGE-OAQYLSRUSA-N
MW477.48 g/mol
LogP3.38
Rot. Bonds7

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138703783) has the molecular formula C24H21F2N7O2 and a molecular weight of 477.48 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID138703783
Molecular FormulaC24H21F2N7O2
Molecular Weight477.48 g/mol
Exact Mass477.17
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(F)cn1
InChIInChI=1S/C24H21F2N7O2/c1-24(2,35)21(26)13-30-23(34)17-12-28-19(8-18(17)32-22-6-3-15(25)11-29-22)20-5-4-16-7-14(9-27)10-31-33(16)20/h3-8,10-12,21,35H,13H2,1-2H3,(H,30,34)(H,28,29,32)/t21-/m1/s1
InChIKeyLBZAOBYCMUCSGE-OAQYLSRUSA-N
XLogP3.38
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide (CID 138703783) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(F)cn1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is LBZAOBYCMUCSGE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21F2N7O2/c1-24(2,35)21(26)13-30-23(34)17-12-28-19(8-18(17)32-22-6-3-15(25)11-29-22)20-5-4-16-7-14(9-27)10-31-33(16)20/h3-8,10-12,21,35H,13H2,1-2H3,(H,30,34)(H,28,29,32)/t21-/m1/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 477.48 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-fluoro-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).