6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide

C26H23FN8O2 — CID 138703480

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc2nccn2c1
InChIInChI=1S/C26H23FN8O2/c1-26(2,37)23(27)14-31-25(36)19-13-30-21(22-5-4-18-9-16(11-28)12-32-35(18)22)10-20(19)33-17-3-6-24-29-7-8-34(24)15-17/h3-10,12-13,15,23,37H,14H2,1-2H3,(H,30,33)(H,31,36)/t23-/m1/s1
InChIKeyCYLQIYLQFKBAQI-HSZRJFAPSA-N
MW498.52 g/mol
LogP3.50
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide (PubChem CID 138703480) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide
PubChem CID138703480
Molecular FormulaC26H23FN8O2
Molecular Weight498.52 g/mol
Exact Mass498.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc2nccn2c1
InChIInChI=1S/C26H23FN8O2/c1-26(2,37)23(27)14-31-25(36)19-13-30-21(22-5-4-18-9-16(11-28)12-32-35(18)22)10-20(19)33-17-3-6-24-29-7-8-34(24)15-17/h3-10,12-13,15,23,37H,14H2,1-2H3,(H,30,33)(H,31,36)/t23-/m1/s1
InChIKeyCYLQIYLQFKBAQI-HSZRJFAPSA-N
XLogP3.50
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.50
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-(imidazo[1,2-a]pyridin-6-ylamino)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-(imidazo[1,2-a]pyridin-6-ylamino)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-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide (CID 138703480) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)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-(imidazo[1,2-a]pyridin-6-ylamino)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-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc2nccn2c1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is CYLQIYLQFKBAQI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-26(2,37)23(27)14-31-25(36)19-13-30-21(22-5-4-18-9-16(11-28)12-32-35(18)22)10-20(19)33-17-3-6-24-29-7-8-34(24)15-17/h3-10,12-13,15,23,37H,14H2,1-2H3,(H,30,33)(H,31,36)/t23-/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-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 498.52 g/mol, XLogP of 3.50, 7 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-(imidazo[1,2-a]pyridin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138703480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).