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

C24H26FN7O3 — CID 138704263

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCNC(=O)C1
InChIInChI=1S/C24H26FN7O3/c1-24(2,35)21(25)13-29-23(34)17-12-28-19(9-18(17)31-15-5-6-27-22(33)8-15)20-4-3-16-7-14(10-26)11-30-32(16)20/h3-4,7,9,11-12,15,21,35H,5-6,8,13H2,1-2H3,(H,27,33)(H,28,31)(H,29,34)/t15?,21-/m1/s1
InChIKeyAMXYRYZMXDHFIS-MZVUKIKXSA-N
MW479.52 g/mol
LogP1.80
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 138704263) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)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-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID138704263
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCNC(=O)C1
InChIInChI=1S/C24H26FN7O3/c1-24(2,35)21(25)13-29-23(34)17-12-28-19(9-18(17)31-15-5-6-27-22(33)8-15)20-4-3-16-7-14(10-26)11-30-32(16)20/h3-4,7,9,11-12,15,21,35H,5-6,8,13H2,1-2H3,(H,27,33)(H,28,31)(H,29,34)/t15?,21-/m1/s1
InChIKeyAMXYRYZMXDHFIS-MZVUKIKXSA-N
XLogP1.80
TPSA144.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-[(2-oxopiperidin-4-yl)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-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide (CID 138704263) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)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-[(2-oxopiperidin-4-yl)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-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CCNC(=O)C1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is AMXYRYZMXDHFIS-MZVUKIKXSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-24(2,35)21(25)13-29-23(34)17-12-28-19(9-18(17)31-15-5-6-27-22(33)8-15)20-4-3-16-7-14(10-26)11-30-32(16)20/h3-4,7,9,11-12,15,21,35H,5-6,8,13H2,1-2H3,(H,27,33)(H,28,31)(H,29,34)/t15?,21-/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-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 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-[(2-oxopiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).