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

C23H25FN6O3 — CID 138703887

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC(O)C1
InChIInChI=1S/C23H25FN6O3/c1-23(2,33)21(24)12-27-22(32)17-11-26-19(8-18(17)29-14-6-16(31)7-14)20-4-3-15-5-13(9-25)10-28-30(15)20/h3-5,8,10-11,14,16,21,31,33H,6-7,12H2,1-2H3,(H,26,29)(H,27,32)/t14?,16?,21-/m1/s1
InChIKeyYXLSLWCLYZWWGA-UTKRZORCSA-N
MW452.49 g/mol
LogP2.04
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide (PubChem CID 138703887) has the molecular formula C23H25FN6O3 and a molecular weight of 452.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)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-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide
PubChem CID138703887
Molecular FormulaC23H25FN6O3
Molecular Weight452.49 g/mol
Exact Mass452.20
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC(O)C1
InChIInChI=1S/C23H25FN6O3/c1-23(2,33)21(24)12-27-22(32)17-11-26-19(8-18(17)29-14-6-16(31)7-14)20-4-3-15-5-13(9-25)10-28-30(15)20/h3-5,8,10-11,14,16,21,31,33H,6-7,12H2,1-2H3,(H,26,29)(H,27,32)/t14?,16?,21-/m1/s1
InChIKeyYXLSLWCLYZWWGA-UTKRZORCSA-N
XLogP2.04
TPSA135.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]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-[(3-hydroxycyclobutyl)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-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide (CID 138703887) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)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-[(3-hydroxycyclobutyl)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-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CC(O)C1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide?
The InChIKey is YXLSLWCLYZWWGA-UTKRZORCSA-N. The full InChI is InChI=1S/C23H25FN6O3/c1-23(2,33)21(24)12-27-22(32)17-11-26-19(8-18(17)29-14-6-16(31)7-14)20-4-3-15-5-13(9-25)10-28-30(15)20/h3-5,8,10-11,14,16,21,31,33H,6-7,12H2,1-2H3,(H,26,29)(H,27,32)/t14?,16?,21-/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-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.04, 7 rotatable bonds, 4 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-[(3-hydroxycyclobutyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).