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

C26H28FN9O2 — CID 135307941

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn([C@@H]2CCNC2)c1
InChIInChI=1S/C26H28FN9O2/c1-26(2,38)24(27)14-31-25(37)20-13-30-22(23-4-3-18-7-16(9-28)10-33-36(18)23)8-21(20)34-17-11-32-35(15-17)19-5-6-29-12-19/h3-4,7-8,10-11,13,15,19,24,29,38H,5-6,12,14H2,1-2H3,(H,30,34)(H,31,37)/t19-,24-/m1/s1
InChIKeyXNAHRTTYDBGLGP-NTKDMRAZSA-N
MW517.57 g/mol
LogP2.58
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 135307941) has the molecular formula C26H28FN9O2 and a molecular weight of 517.57 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide
PubChem CID135307941
Molecular FormulaC26H28FN9O2
Molecular Weight517.57 g/mol
Exact Mass517.23
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn([C@@H]2CCNC2)c1
InChIInChI=1S/C26H28FN9O2/c1-26(2,38)24(27)14-31-25(37)20-13-30-22(23-4-3-18-7-16(9-28)10-33-36(18)23)8-21(20)34-17-11-32-35(15-17)19-5-6-29-12-19/h3-4,7-8,10-11,13,15,19,24,29,38H,5-6,12,14H2,1-2H3,(H,30,34)(H,31,37)/t19-,24-/m1/s1
InChIKeyXNAHRTTYDBGLGP-NTKDMRAZSA-N
XLogP2.58
TPSA145.19 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.57
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]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)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 135307941) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1cnn([C@@H]2CCNC2)c1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is XNAHRTTYDBGLGP-NTKDMRAZSA-N. The full InChI is InChI=1S/C26H28FN9O2/c1-26(2,38)24(27)14-31-25(37)20-13-30-22(23-4-3-18-7-16(9-28)10-33-36(18)23)8-21(20)34-17-11-32-35(15-17)19-5-6-29-12-19/h3-4,7-8,10-11,13,15,19,24,29,38H,5-6,12,14H2,1-2H3,(H,30,34)(H,31,37)/t19-,24-/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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 517.57 g/mol, XLogP of 2.58, 8 rotatable bonds, 4 hydrogen bond donors, and 10 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-[[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135307941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).