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

C24H26F2N6O3 — CID 138703603

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C24H26F2N6O3/c1-24(2,34)22(26)12-29-23(33)16-11-28-20(8-19(16)31-18-5-6-35-13-17(18)25)21-4-3-15-7-14(9-27)10-30-32(15)21/h3-4,7-8,10-11,17-18,22,34H,5-6,12-13H2,1-2H3,(H,28,31)(H,29,33)/t17-,18-,22-/m1/s1
InChIKeyBOZVDWNOQNHAKG-JBYIUTFZSA-N
MW484.51 g/mol
LogP2.65
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide (PubChem CID 138703603) has the molecular formula C24H26F2N6O3 and a molecular weight of 484.51 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-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-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide
PubChem CID138703603
Molecular FormulaC24H26F2N6O3
Molecular Weight484.51 g/mol
Exact Mass484.20
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCOC[C@H]1F
InChIInChI=1S/C24H26F2N6O3/c1-24(2,34)22(26)12-29-23(33)16-11-28-20(8-19(16)31-18-5-6-35-13-17(18)25)21-4-3-15-7-14(9-27)10-30-32(15)21/h3-4,7-8,10-11,17-18,22,34H,5-6,12-13H2,1-2H3,(H,28,31)(H,29,33)/t17-,18-,22-/m1/s1
InChIKeyBOZVDWNOQNHAKG-JBYIUTFZSA-N
XLogP2.65
TPSA124.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-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-[[(3S,4R)-3-fluorooxan-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-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide (CID 138703603) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-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-[[(3S,4R)-3-fluorooxan-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-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1N[C@@H]1CCOC[C@H]1F.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is BOZVDWNOQNHAKG-JBYIUTFZSA-N. The full InChI is InChI=1S/C24H26F2N6O3/c1-24(2,34)22(26)12-29-23(33)16-11-28-20(8-19(16)31-18-5-6-35-13-17(18)25)21-4-3-15-7-14(9-27)10-30-32(15)21/h3-4,7-8,10-11,17-18,22,34H,5-6,12-13H2,1-2H3,(H,28,31)(H,29,33)/t17-,18-,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-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 2.65, 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-[[(3S,4R)-3-fluorooxan-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).