6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide

C23H24FN7O3 — CID 135307776

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CNC(=O)C1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)20(24)12-28-22(33)16-11-26-18(7-17(16)30-14-6-21(32)27-10-14)19-4-3-15-5-13(8-25)9-29-31(15)19/h3-5,7,9,11,14,20,34H,6,10,12H2,1-2H3,(H,26,30)(H,27,32)(H,28,33)/t14?,20-/m1/s1
InChIKeyOTMVEUYBEMXIBF-YBMSBYLISA-N
MW465.49 g/mol
LogP1.41
Rot. Bonds7

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 135307776) has the molecular formula C23H24FN7O3 and a molecular weight of 465.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
PubChem CID135307776
Molecular FormulaC23H24FN7O3
Molecular Weight465.49 g/mol
Exact Mass465.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CNC(=O)C1
InChIInChI=1S/C23H24FN7O3/c1-23(2,34)20(24)12-28-22(33)16-11-26-18(7-17(16)30-14-6-21(32)27-10-14)19-4-3-15-5-13(8-25)9-29-31(15)19/h3-5,7,9,11,14,20,34H,6,10,12H2,1-2H3,(H,26,30)(H,27,32)(H,28,33)/t14?,20-/m1/s1
InChIKeyOTMVEUYBEMXIBF-YBMSBYLISA-N
XLogP1.41
TPSA144.44 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-[(5-oxopyrrolidin-3-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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide (CID 135307776) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-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-[(5-oxopyrrolidin-3-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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1NC1CNC(=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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is OTMVEUYBEMXIBF-YBMSBYLISA-N. The full InChI is InChI=1S/C23H24FN7O3/c1-23(2,34)20(24)12-28-22(33)16-11-26-18(7-17(16)30-14-6-21(32)27-10-14)19-4-3-15-5-13(8-25)9-29-31(15)19/h3-5,7,9,11,14,20,34H,6,10,12H2,1-2H3,(H,26,30)(H,27,32)(H,28,33)/t14?,20-/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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 1.41, 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-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 135307776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).