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

C25H24FN7O3 — CID 138704664

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-16-4-7-23(36-3)29-12-16)21-6-5-17-8-15(10-27)11-31-33(17)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,28,32)(H,30,34)/t22-/m1/s1
InChIKeyMBKYMZFUWMAHHT-JOCHJYFZSA-N
MW489.51 g/mol
LogP3.25
Rot. Bonds8

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

6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138704664) has the molecular formula C25H24FN7O3 and a molecular weight of 489.51 g/mol. Its IUPAC name is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID138704664
Molecular FormulaC25H24FN7O3
Molecular Weight489.51 g/mol
Exact Mass489.19
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-16-4-7-23(36-3)29-12-16)21-6-5-17-8-15(10-27)11-31-33(17)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,28,32)(H,30,34)/t22-/m1/s1
InChIKeyMBKYMZFUWMAHHT-JOCHJYFZSA-N
XLogP3.25
TPSA137.46 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.25
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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
4-[[(2S)-1-cyclopropyl-3-hydroxypropan-2-yl]amino]-6-(6-methoxy-3-pyridinyl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 155550462
3-cyano-N,5-dimethyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 22179713
3-cyano-5-methyl-N-(2-morpholinoethyl)-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 22473189
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-N-[(2S)-2-fluoropropyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467008
(R)-4-(1-(2-amino-2-oxoacetyl)-3,3-dimethylpiperidin-4-ylamino)-6-(6-methoxypyridin-3-yl)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 68291415
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-4-((5-(difluoromethyl)pyridin-3-yl)amino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)nicotinamide
CID 135307870
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(pyridin-3-ylamino)nicotinamide
CID 135307895
(R)-4-((6-chloropyridin-3-yl)amino)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl) nicotinamide
CID 135308055
(R)-5-((2-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-5-((2-fluoro-3-hydroxy-3-methylbutyl)carbamoyl) pyridin-4-yl)amino) picolinamide
CID 138703385
(R)-6-(3-cyano-pyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-fluoropyridin-3-yl)amino)nicotinamide
CID 138703429
(R)-6-(3-cyanopyrrolo[1,2-b] pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((6-(trifluoromethyl)pyridin-3-yl)amino)nicotinamide
CID 138703437

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-[(6-methoxy-3-pyridinyl)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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide (CID 138704664) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)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-[(6-methoxy-3-pyridinyl)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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is COc1ccc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is MBKYMZFUWMAHHT-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24FN7O3/c1-25(2,35)22(26)14-30-24(34)18-13-28-20(9-19(18)32-16-4-7-23(36-3)29-12-16)21-6-5-17-8-15(10-27)11-31-33(17)21/h4-9,11-13,22,35H,14H2,1-3H3,(H,28,32)(H,30,34)/t22-/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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide?
6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 489.51 g/mol, XLogP of 3.25, 8 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-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).