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

C25H22F3N7O2 — CID 138704289

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-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(F)F)nc1
InChIInChI=1S/C25H22F3N7O2/c1-25(2,37)22(26)13-32-24(36)17-12-31-20(21-6-4-16-7-14(9-29)10-33-35(16)21)8-19(17)34-15-3-5-18(23(27)28)30-11-15/h3-8,10-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36)/t22-/m1/s1
InChIKeyXTPDIRQWAQVZRT-JOCHJYFZSA-N
MW509.49 g/mol
LogP4.18
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 138704289) has the molecular formula C25H22F3N7O2 and a molecular weight of 509.49 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
PubChem CID138704289
Molecular FormulaC25H22F3N7O2
Molecular Weight509.49 g/mol
Exact Mass509.18
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-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(F)F)nc1
InChIInChI=1S/C25H22F3N7O2/c1-25(2,37)22(26)13-32-24(36)17-12-31-20(21-6-4-16-7-14(9-29)10-33-35(16)21)8-19(17)34-15-3-5-18(23(27)28)30-11-15/h3-8,10-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36)/t22-/m1/s1
InChIKeyXTPDIRQWAQVZRT-JOCHJYFZSA-N
XLogP4.18
TPSA128.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.49
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-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 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 138704289) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-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(F)F)nc1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is XTPDIRQWAQVZRT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H22F3N7O2/c1-25(2,37)22(26)13-32-24(36)17-12-31-20(21-6-4-16-7-14(9-29)10-33-35(16)21)8-19(17)34-15-3-5-18(23(27)28)30-11-15/h3-8,10-12,22-23,37H,13H2,1-2H3,(H,31,34)(H,32,36)/t22-/m1/s1.
What are the key properties of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 3 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)-4-[[6-(difluoromethyl)-3-pyridinyl]amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 138704289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).