4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol

C20H21F2N5O — CID 155263837

IUPAC4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol
SMILESCc1nn(C)cc1-c1cc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)cnn1
InChIInChI=1S/C20H21F2N5O/c1-13-16(12-26(2)25-13)19-10-15(11-23-24-19)27-7-5-20(28,6-8-27)14-3-4-17(21)18(22)9-14/h3-4,9-12,28H,5-8H2,1-2H3
InChIKeyHEDONYBTRJVUQK-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.95
Rot. Bonds3

About 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol

4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol (PubChem CID 155263837) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol
PubChem CID155263837
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol
SMILESCc1nn(C)cc1-c1cc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)cnn1
InChIInChI=1S/C20H21F2N5O/c1-13-16(12-26(2)25-13)19-10-15(11-23-24-19)27-7-5-20(28,6-8-27)14-3-4-17(21)18(22)9-14/h3-4,9-12,28H,5-8H2,1-2H3
InChIKeyHEDONYBTRJVUQK-UHFFFAOYSA-N
XLogP2.95
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol?
The IUPAC name of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol (CID 155263837) is 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol?
The canonical SMILES for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol is Cc1nn(C)cc1-c1cc(N2CCC(O)(c3ccc(F)c(F)c3)CC2)cnn1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol?
The InChIKey is HEDONYBTRJVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-13-16(12-26(2)25-13)19-10-15(11-23-24-19)27-7-5-20(28,6-8-27)14-3-4-17(21)18(22)9-14/h3-4,9-12,28H,5-8H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol?
4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol has a molecular weight of 385.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-4-yl]piperidin-4-ol is sourced from PubChem (CID 155263837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).