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

C26H29FN8O3 — CID 138703439

IUPAC6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)Cn1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C26H29FN8O3/c1-25(2,37)15-34-14-17(11-31-34)33-20-8-21(22-6-5-18-7-16(9-28)10-32-35(18)22)29-12-19(20)24(36)30-13-23(27)26(3,4)38/h5-8,10-12,14,23,37-38H,13,15H2,1-4H3,(H,29,33)(H,30,36)/t23-/m1/s1
InChIKeyHMPPGKUGIQXTLC-HSZRJFAPSA-N
MW520.57 g/mol
LogP2.82
Rot. Bonds9

About 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 138703439) has the molecular formula C26H29FN8O3 and a molecular weight of 520.57 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-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
PubChem CID138703439
Molecular FormulaC26H29FN8O3
Molecular Weight520.57 g/mol
Exact Mass520.23
IUPAC Name6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(O)Cn1cc(Nc2cc(-c3ccc4cc(C#N)cnn34)ncc2C(=O)NC[C@@H](F)C(C)(C)O)cn1
InChIInChI=1S/C26H29FN8O3/c1-25(2,37)15-34-14-17(11-31-34)33-20-8-21(22-6-5-18-7-16(9-28)10-32-35(18)22)29-12-19(20)24(36)30-13-23(27)26(3,4)38/h5-8,10-12,14,23,37-38H,13,15H2,1-4H3,(H,29,33)(H,30,36)/t23-/m1/s1
InChIKeyHMPPGKUGIQXTLC-HSZRJFAPSA-N
XLogP2.82
TPSA153.39 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.57
LogP ≤ 52.82
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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]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-[[1-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 138703439) is 6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)Cn1cc(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-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is HMPPGKUGIQXTLC-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29FN8O3/c1-25(2,37)15-34-14-17(11-31-34)33-20-8-21(22-6-5-18-7-16(9-28)10-32-35(18)22)29-12-19(20)24(36)30-13-23(27)26(3,4)38/h5-8,10-12,14,23,37-38H,13,15H2,1-4H3,(H,29,33)(H,30,36)/t23-/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-(2-hydroxy-2-methylpropyl)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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 2.82, 9 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-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 138703439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).