3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol

C25H24FN5O — CID 142630916

IUPAC3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol
SMILESOc1cccc(Nc2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccn2)c1
InChIInChI=1S/C25H24FN5O/c26-19-6-4-17(5-7-19)24-25(31(16-29-24)21-9-11-27-12-10-21)18-8-13-28-23(14-18)30-20-2-1-3-22(32)15-20/h1-8,13-16,21,27,32H,9-12H2,(H,28,30)
InChIKeyWOGIUWPBNBAIEI-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.12
Rot. Bonds5

About 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol

3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol (PubChem CID 142630916) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol.

Molecular Properties

Compound Name3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol
PubChem CID142630916
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol
SMILESOc1cccc(Nc2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccn2)c1
InChIInChI=1S/C25H24FN5O/c26-19-6-4-17(5-7-19)24-25(31(16-29-24)21-9-11-27-12-10-21)18-8-13-28-23(14-18)30-20-2-1-3-22(32)15-20/h1-8,13-16,21,27,32H,9-12H2,(H,28,30)
InChIKeyWOGIUWPBNBAIEI-UHFFFAOYSA-N
XLogP5.12
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-phenylsulfanylpyridine
CID 15872410
N-(3-bromophenyl)-4-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 23133386
4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidine
CID 57461718
5-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-methoxypyrimidine
CID 162676290
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
CID 142630915
2-fluoro-N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90246087
N-[6-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]quinoline-4-carboxamide
CID 90246021
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
N-[4-[2-(4-fluoroanilino)-4-pyridinyl]-2-pyridinyl]pyrrolidine-3-carboxamide
CID 67062284
4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxycyclohexa-1,3,5-triene-1-carboxylic acid
CID 171922044
N-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyridin-2-amine
CID 150771681
4-[5-(4-fluorophenyl)-3-[(3R)-pyrrolidin-3-yl]imidazol-4-yl]pyrimidine
CID 124565058

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol?
The IUPAC name of 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol (CID 142630916) is 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol.
What is the SMILES notation for 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol?
The canonical SMILES for 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol is Oc1cccc(Nc2cc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)ccn2)c1.
What is the InChIKey of 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol?
The InChIKey is WOGIUWPBNBAIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-19-6-4-17(5-7-19)24-25(31(16-29-24)21-9-11-27-12-10-21)18-8-13-28-23(14-18)30-20-2-1-3-22(32)15-20/h1-8,13-16,21,27,32H,9-12H2,(H,28,30).
What are the key properties of 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol?
3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol has a molecular weight of 429.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-2-pyridinyl]amino]phenol is sourced from PubChem (CID 142630916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).