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

C26H23FN8O2 — CID 138704167

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccn2nccc2c1
InChIInChI=1S/C26H23FN8O2/c1-26(2,37)24(27)15-30-25(36)20-14-29-22(23-4-3-19-9-16(12-28)13-32-35(19)23)11-21(20)33-17-6-8-34-18(10-17)5-7-31-34/h3-11,13-14,24,37H,15H2,1-2H3,(H,29,33)(H,30,36)/t24-/m1/s1
InChIKeyGCNMMCAGQRVTFE-XMMPIXPASA-N
MW498.52 g/mol
LogP3.50
Rot. Bonds7

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (PubChem CID 138704167) has the molecular formula C26H23FN8O2 and a molecular weight of 498.52 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
PubChem CID138704167
Molecular FormulaC26H23FN8O2
Molecular Weight498.52 g/mol
Exact Mass498.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccn2nccc2c1
InChIInChI=1S/C26H23FN8O2/c1-26(2,37)24(27)15-30-25(36)20-14-29-22(23-4-3-19-9-16(12-28)13-32-35(19)23)11-21(20)33-17-6-8-34-18(10-17)5-7-31-34/h3-11,13-14,24,37H,15H2,1-2H3,(H,29,33)(H,30,36)/t24-/m1/s1
InChIKeyGCNMMCAGQRVTFE-XMMPIXPASA-N
XLogP3.50
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)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-(pyrazolo[1,5-a]pyridin-5-ylamino)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-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide (CID 138704167) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)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-(pyrazolo[1,5-a]pyridin-5-ylamino)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-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccn2nccc2c1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide?
The InChIKey is GCNMMCAGQRVTFE-XMMPIXPASA-N. The full InChI is InChI=1S/C26H23FN8O2/c1-26(2,37)24(27)15-30-25(36)20-14-29-22(23-4-3-19-9-16(12-28)13-32-35(19)23)11-21(20)33-17-6-8-34-18(10-17)5-7-31-34/h3-11,13-14,24,37H,15H2,1-2H3,(H,29,33)(H,30,36)/t24-/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-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide has a molecular weight of 498.52 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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-(pyrazolo[1,5-a]pyridin-5-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138704167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).