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

C23H21FN8O2 — CID 138704066

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnccn1
InChIInChI=1S/C23H21FN8O2/c1-23(2,34)20(24)12-29-22(33)16-11-28-18(8-17(16)31-21-13-26-5-6-27-21)19-4-3-15-7-14(9-25)10-30-32(15)19/h3-8,10-11,13,20,34H,12H2,1-2H3,(H,29,33)(H,27,28,31)/t20-/m1/s1
InChIKeyHBCNQVFEXARJNG-HXUWFJFHSA-N
MW460.47 g/mol
LogP2.64
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-ylamino)pyridine-3-carboxamide (PubChem CID 138704066) has the molecular formula C23H21FN8O2 and a molecular weight of 460.47 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-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-(pyrazin-2-ylamino)pyridine-3-carboxamide
PubChem CID138704066
Molecular FormulaC23H21FN8O2
Molecular Weight460.47 g/mol
Exact Mass460.18
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnccn1
InChIInChI=1S/C23H21FN8O2/c1-23(2,34)20(24)12-29-22(33)16-11-28-18(8-17(16)31-21-13-26-5-6-27-21)19-4-3-15-7-14(9-25)10-30-32(15)19/h3-8,10-11,13,20,34H,12H2,1-2H3,(H,29,33)(H,27,28,31)/t20-/m1/s1
InChIKeyHBCNQVFEXARJNG-HXUWFJFHSA-N
XLogP2.64
TPSA141.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.64
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-(pyrazin-2-ylamino)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)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-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-(pyrazin-2-ylamino)pyridine-3-carboxamide (CID 138704066) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-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-(pyrazin-2-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-(pyrazin-2-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnccn1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is HBCNQVFEXARJNG-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21FN8O2/c1-23(2,34)20(24)12-29-22(33)16-11-28-18(8-17(16)31-21-13-26-5-6-27-21)19-4-3-15-7-14(9-25)10-30-32(15)19/h3-8,10-11,13,20,34H,12H2,1-2H3,(H,29,33)(H,27,28,31)/t20-/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-(pyrazin-2-ylamino)pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 460.47 g/mol, XLogP of 2.64, 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-(pyrazin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138704066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).