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

C27H24FN9O2 — CID 138704504

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C27H24FN9O2/c1-27(2,39)24(28)15-33-26(38)20-14-31-22(23-5-4-19-9-17(11-29)12-34-37(19)23)10-21(20)35-18-3-6-25(32-13-18)36-8-7-30-16-36/h3-10,12-14,16,24,39H,15H2,1-2H3,(H,31,35)(H,33,38)/t24-/m1/s1
InChIKeyINZJRPBEPXTGNQ-XMMPIXPASA-N
MW525.55 g/mol
LogP3.43
Rot. Bonds8

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-imidazol-1-yl-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-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138704504) has the molecular formula C27H24FN9O2 and a molecular weight of 525.55 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-imidazol-1-yl-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-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID138704504
Molecular FormulaC27H24FN9O2
Molecular Weight525.55 g/mol
Exact Mass525.20
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C27H24FN9O2/c1-27(2,39)24(28)15-33-26(38)20-14-31-22(23-5-4-19-9-17(11-29)12-34-37(19)23)10-21(20)35-18-3-6-25(32-13-18)36-8-7-30-16-36/h3-10,12-14,16,24,39H,15H2,1-2H3,(H,31,35)(H,33,38)/t24-/m1/s1
InChIKeyINZJRPBEPXTGNQ-XMMPIXPASA-N
XLogP3.43
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.55
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

Edecesertib
CID 147817927
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
Sdccggsk-0000274.P001
CID 10272700
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
US10399985, Example 31
CID 118278223
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazol-1-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 15958792
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(3-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958840
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methylpyrazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958842
1-(4-benzoylpiperazin-1-yl)-2-[7-(1,2,4-triazol-1-yl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 15958909
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methyl-1,2,4-triazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024120
1-(4-benzoylpiperazin-1-yl)-2-[4-(3-phenylpyrazol-1-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024300
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(4-fluorophenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024301

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-imidazol-1-yl-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-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 138704504) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-imidazol-1-yl-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-imidazol-1-yl-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-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is INZJRPBEPXTGNQ-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24FN9O2/c1-27(2,39)24(28)15-33-26(38)20-14-31-22(23-5-4-19-9-17(11-29)12-34-37(19)23)10-21(20)35-18-3-6-25(32-13-18)36-8-7-30-16-36/h3-10,12-14,16,24,39H,15H2,1-2H3,(H,31,35)(H,33,38)/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-[(6-imidazol-1-yl-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-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 525.55 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 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-[(6-imidazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138704504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).