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

C22H23FN6O — CID 71585396

IUPAC2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)c1
InChIInChI=1S/C22H23FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-5,11,13-15,19,30H,6-10,12H2
InChIKeyCIOGEGQPHGZHPB-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.13
Rot. Bonds5

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

2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol (PubChem CID 71585396) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol
PubChem CID71585396
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)c1
InChIInChI=1S/C22H23FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-5,11,13-15,19,30H,6-10,12H2
InChIKeyCIOGEGQPHGZHPB-UHFFFAOYSA-N
XLogP3.13
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol (CID 71585396) is 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol is OCCc1cnn(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)c1.
What is the InChIKey of 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol?
The InChIKey is CIOGEGQPHGZHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-5,11,13-15,19,30H,6-10,12H2.
What are the key properties of 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol?
2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol has a molecular weight of 406.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-[4-(6-fluoroindol-1-yl)piperidin-1-yl]pyridazin-3-yl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 71585396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).