2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide

C23H24FN7O — CID 71585496

IUPAC2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C23H24FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-6,11-14,19H,7-10,15H2,1H3,(H,25,32)
InChIKeyOAZDCTMDSUWDDQ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.02
Rot. Bonds5

About 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide

2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide (PubChem CID 71585496) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide
PubChem CID71585496
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1
InChIInChI=1S/C23H24FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-6,11-14,19H,7-10,15H2,1H3,(H,25,32)
InChIKeyOAZDCTMDSUWDDQ-UHFFFAOYSA-N
XLogP3.02
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide (CID 71585496) is 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1.
What is the InChIKey of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is OAZDCTMDSUWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-6,11-14,19H,7-10,15H2,1H3,(H,25,32).
What are the key properties of 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide?
2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 433.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 71585496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).