4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one

C23H25F3N4O2 — CID 67669587

IUPAC4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2c(CC3CCN(C(=O)CC(O)(c4ccccc4)C(F)(F)F)CC3)nccc2[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15-28-18-7-10-27-19(21(18)29-15)13-16-8-11-30(12-9-16)20(31)14-22(32,23(24,25)26)17-5-3-2-4-6-17/h2-7,10,16,32H,8-9,11-14H2,1H3,(H,28,29)
InChIKeyUWBKNJNJNLCGTF-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.89
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one

4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 67669587) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID67669587
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2c(CC3CCN(C(=O)CC(O)(c4ccccc4)C(F)(F)F)CC3)nccc2[nH]1
InChIInChI=1S/C23H25F3N4O2/c1-15-28-18-7-10-27-19(21(18)29-15)13-16-8-11-30(12-9-16)20(31)14-22(32,23(24,25)26)17-5-3-2-4-6-17/h2-7,10,16,32H,8-9,11-14H2,1H3,(H,28,29)
InChIKeyUWBKNJNJNLCGTF-UHFFFAOYSA-N
XLogP3.89
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 67669587) is 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc2c(CC3CCN(C(=O)CC(O)(c4ccccc4)C(F)(F)F)CC3)nccc2[nH]1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is UWBKNJNJNLCGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-15-28-18-7-10-27-19(21(18)29-15)13-16-8-11-30(12-9-16)20(31)14-22(32,23(24,25)26)17-5-3-2-4-6-17/h2-7,10,16,32H,8-9,11-14H2,1H3,(H,28,29).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 446.47 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 67669587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).