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

C25H25FN8O2 — CID 138703500

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn(C2CC2)c1
InChIInChI=1S/C25H25FN8O2/c1-25(2,36)23(26)13-29-24(35)19-12-28-21(22-6-5-18-7-15(9-27)10-31-34(18)22)8-20(19)32-16-11-30-33(14-16)17-3-4-17/h5-8,10-12,14,17,23,36H,3-4,13H2,1-2H3,(H,28,32)(H,29,35)/t23-/m1/s1
InChIKeyOJVJDANGGVDMFG-HSZRJFAPSA-N
MW488.53 g/mol
LogP3.38
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 138703500) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID138703500
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn(C2CC2)c1
InChIInChI=1S/C25H25FN8O2/c1-25(2,36)23(26)13-29-24(35)19-12-28-21(22-6-5-18-7-15(9-27)10-31-34(18)22)8-20(19)32-16-11-30-33(14-16)17-3-4-17/h5-8,10-12,14,17,23,36H,3-4,13H2,1-2H3,(H,28,32)(H,29,35)/t23-/m1/s1
InChIKeyOJVJDANGGVDMFG-HSZRJFAPSA-N
XLogP3.38
TPSA133.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 138703500) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn(C2CC2)c1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is OJVJDANGGVDMFG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-25(2,36)23(26)13-29-24(35)19-12-28-21(22-6-5-18-7-15(9-27)10-31-34(18)22)8-20(19)32-16-11-30-33(14-16)17-3-4-17/h5-8,10-12,14,17,23,36H,3-4,13H2,1-2H3,(H,28,32)(H,29,35)/t23-/m1/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 3.38, 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)-4-[(1-cyclopropylpyrazol-4-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 138703500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).