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

C23H23FN8O2 — CID 138704803

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C23H23FN8O2/c1-23(2,34)21(24)12-27-22(33)17-11-26-19(7-18(17)30-15-10-28-31(3)13-15)20-5-4-16-6-14(8-25)9-29-32(16)20/h4-7,9-11,13,21,34H,12H2,1-3H3,(H,26,30)(H,27,33)/t21-/m1/s1
InChIKeyWZVFWRQJGHWIRQ-OAQYLSRUSA-N
MW462.49 g/mol
LogP2.58
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 138704803) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
PubChem CID138704803
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
SMILESCn1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C23H23FN8O2/c1-23(2,34)21(24)12-27-22(33)17-11-26-19(7-18(17)30-15-10-28-31(3)13-15)20-5-4-16-6-14(8-25)9-29-32(16)20/h4-7,9-11,13,21,34H,12H2,1-3H3,(H,26,30)(H,27,33)/t21-/m1/s1
InChIKeyWZVFWRQJGHWIRQ-OAQYLSRUSA-N
XLogP2.58
TPSA133.16 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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-[(1-methylpyrazol-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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 138704803) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-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-[(1-methylpyrazol-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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is Cn1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is WZVFWRQJGHWIRQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-23(2,34)21(24)12-27-22(33)17-11-26-19(7-18(17)30-15-10-28-31(3)13-15)20-5-4-16-6-14(8-25)9-29-32(16)20/h4-7,9-11,13,21,34H,12H2,1-3H3,(H,26,30)(H,27,33)/t21-/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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.58, 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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).