1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol

C24H25FN6O — CID 155263815

IUPAC1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
SMILESCn1cc(-c2cc(N3CCC(O)(c4cccc(F)c4)CC3)cc(-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C24H25FN6O/c1-29-15-17(13-26-29)22-11-21(12-23(28-22)18-14-27-30(2)16-18)31-8-6-24(32,7-9-31)19-4-3-5-20(25)10-19/h3-5,10-16,32H,6-9H2,1-2H3
InChIKeyOORQVIMJYDZAOB-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.51
Rot. Bonds4

About 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol

1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol (PubChem CID 155263815) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
PubChem CID155263815
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol
SMILESCn1cc(-c2cc(N3CCC(O)(c4cccc(F)c4)CC3)cc(-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C24H25FN6O/c1-29-15-17(13-26-29)22-11-21(12-23(28-22)18-14-27-30(2)16-18)31-8-6-24(32,7-9-31)19-4-3-5-20(25)10-19/h3-5,10-16,32H,6-9H2,1-2H3
InChIKeyOORQVIMJYDZAOB-UHFFFAOYSA-N
XLogP3.51
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?
The IUPAC name of 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol (CID 155263815) is 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol is Cn1cc(-c2cc(N3CCC(O)(c4cccc(F)c4)CC3)cc(-c3cnn(C)c3)n2)cn1.
What is the InChIKey of 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?
The InChIKey is OORQVIMJYDZAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-29-15-17(13-26-29)22-11-21(12-23(28-22)18-14-27-30(2)16-18)31-8-6-24(32,7-9-31)19-4-3-5-20(25)10-19/h3-5,10-16,32H,6-9H2,1-2H3.
What are the key properties of 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol?
1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol has a molecular weight of 432.50 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(1-methylpyrazol-4-yl)-4-pyridinyl]-4-(3-fluorophenyl)piperidin-4-ol is sourced from PubChem (CID 155263815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).