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

C24H28FN7O4S — CID 138703920

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C24H28FN7O4S/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(21-5-4-17-8-15(10-26)11-29-32(17)21)9-19(18)30-16-6-7-31(14-16)37(3,35)36/h4-5,8-9,11-12,16,22,34H,6-7,13-14H2,1-3H3,(H,27,30)(H,28,33)/t16-,22-/m1/s1
InChIKeyJYJLAQUEZWXYRO-OPAMFIHVSA-N
MW529.60 g/mol
LogP1.55
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 138703920) has the molecular formula C24H28FN7O4S and a molecular weight of 529.60 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID138703920
Molecular FormulaC24H28FN7O4S
Molecular Weight529.60 g/mol
Exact Mass529.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C24H28FN7O4S/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(21-5-4-17-8-15(10-26)11-29-32(17)21)9-19(18)30-16-6-7-31(14-16)37(3,35)36/h4-5,8-9,11-12,16,22,34H,6-7,13-14H2,1-3H3,(H,27,30)(H,28,33)/t16-,22-/m1/s1
InChIKeyJYJLAQUEZWXYRO-OPAMFIHVSA-N
XLogP1.55
TPSA152.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-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

Related Compounds

CID 147817927
CID 147817927
CID 68290784
CID 68290784
CID 91937374
CID 91937374
CID 91937377
CID 91937377
CID 91937378
CID 91937378
CID 124157904
CID 124157904
CID 135307776
CID 135307776
CID 135307779
CID 135307779
CID 135307795
CID 135307795
CID 135307814
CID 135307814
CID 135307842
CID 135307842
CID 135307870
CID 135307870

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-[[(3R)-1-methylsulfonylpyrrolidin-3-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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 138703920) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-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-[[(3R)-1-methylsulfonylpyrrolidin-3-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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCN(S(C)(=O)=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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is JYJLAQUEZWXYRO-OPAMFIHVSA-N. The full InChI is InChI=1S/C24H28FN7O4S/c1-24(2,34)22(25)13-28-23(33)18-12-27-20(21-5-4-17-8-15(10-26)11-29-32(17)21)9-19(18)30-16-6-7-31(14-16)37(3,35)36/h4-5,8-9,11-12,16,22,34H,6-7,13-14H2,1-3H3,(H,27,30)(H,28,33)/t16-,22-/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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 9 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-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).