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

C27H24FN9O2 — CID 138703634

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C27H24FN9O2/c1-27(2,39)24(28)16-32-26(38)20-15-30-22(23-6-5-19-10-17(12-29)13-34-37(19)23)11-21(20)35-18-4-7-25(31-14-18)36-9-3-8-33-36/h3-11,13-15,24,39H,16H2,1-2H3,(H,30,35)(H,32,38)/t24-/m1/s1
InChIKeyLSDBWVRDMHBHCR-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-pyrazol-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 138703634) 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-pyrazol-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID138703634
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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C27H24FN9O2/c1-27(2,39)24(28)16-32-26(38)20-15-30-22(23-6-5-19-10-17(12-29)13-34-37(19)23)11-21(20)35-18-4-7-25(31-14-18)36-9-3-8-33-36/h3-11,13-15,24,39H,16H2,1-2H3,(H,30,35)(H,32,38)/t24-/m1/s1
InChIKeyLSDBWVRDMHBHCR-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

Edecesertib
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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-[(6-pyrazol-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide (CID 138703634) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(6-pyrazol-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-pyrazol-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2ccc3cc(C#N)cnn23)cc1Nc1ccc(-n2cccn2)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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is LSDBWVRDMHBHCR-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24FN9O2/c1-27(2,39)24(28)16-32-26(38)20-15-30-22(23-6-5-19-10-17(12-29)13-34-37(19)23)11-21(20)35-18-4-7-25(31-14-18)36-9-3-8-33-36/h3-11,13-15,24,39H,16H2,1-2H3,(H,30,35)(H,32,38)/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-pyrazol-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-pyrazol-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-pyrazol-1-yl-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).