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

C25H23FN8O3 — CID 138703385

IUPAC4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C25H23FN8O3/c1-25(2,37)22(26)13-31-24(36)17-12-30-20(21-6-4-16-7-14(9-27)10-32-34(16)21)8-19(17)33-15-3-5-18(23(28)35)29-11-15/h3-8,10-12,22,37H,13H2,1-2H3,(H2,28,35)(H,30,33)(H,31,36)/t22-/m1/s1
InChIKeyQMCUEZVTUFYSNU-JOCHJYFZSA-N
MW502.51 g/mol
LogP2.34
Rot. Bonds8

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

4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 138703385) has the molecular formula C25H23FN8O3 and a molecular weight of 502.51 g/mol. Its IUPAC name is 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID138703385
Molecular FormulaC25H23FN8O3
Molecular Weight502.51 g/mol
Exact Mass502.19
IUPAC Name4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(C(N)=O)nc1
InChIInChI=1S/C25H23FN8O3/c1-25(2,37)22(26)13-31-24(36)17-12-30-20(21-6-4-16-7-14(9-27)10-32-34(16)21)8-19(17)33-15-3-5-18(23(28)35)29-11-15/h3-8,10-12,22,37H,13H2,1-2H3,(H2,28,35)(H,30,33)(H,31,36)/t22-/m1/s1
InChIKeyQMCUEZVTUFYSNU-JOCHJYFZSA-N
XLogP2.34
TPSA171.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.51
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 138703385) is 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-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)cc1Nc1ccc(C(N)=O)nc1.
What is the InChIKey of 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is QMCUEZVTUFYSNU-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H23FN8O3/c1-25(2,37)22(26)13-31-24(36)17-12-30-20(21-6-4-16-7-14(9-27)10-32-34(16)21)8-19(17)33-15-3-5-18(23(28)35)29-11-15/h3-8,10-12,22,37H,13H2,1-2H3,(H2,28,35)(H,30,33)(H,31,36)/t22-/m1/s1.
What are the key properties of 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 502.51 g/mol, XLogP of 2.34, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-carbamoyl-3-pyridinyl)amino]-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 138703385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).