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

C23H25F3N4O2 — CID 10789529

IUPAC4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O2/c1-16-28-19-14-27-10-7-20(19)30(16)15-17-8-11-29(12-9-17)21(31)13-22(32,23(24,25)26)18-5-3-2-4-6-18/h2-7,10,14,17,32H,8-9,11-13,15H2,1H3
InChIKeyCQUQFVPNFARAPT-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.82
Rot. Bonds5

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

4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (PubChem CID 10789529) 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-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
PubChem CID10789529
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
SMILESCc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N4O2/c1-16-28-19-14-27-10-7-20(19)30(16)15-17-8-11-29(12-9-17)21(31)13-22(32,23(24,25)26)18-5-3-2-4-6-18/h2-7,10,14,17,32H,8-9,11-13,15H2,1H3
InChIKeyCQUQFVPNFARAPT-UHFFFAOYSA-N
XLogP3.82
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one (CID 10789529) is 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is Cc1nc2cnccc2n1CC1CCN(C(=O)CC(O)(c2ccccc2)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
The InChIKey is CQUQFVPNFARAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-16-28-19-14-27-10-7-20(19)30(16)15-17-8-11-29(12-9-17)21(31)13-22(32,23(24,25)26)18-5-3-2-4-6-18/h2-7,10,14,17,32H,8-9,11-13,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one?
4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one has a molecular weight of 446.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one is sourced from PubChem (CID 10789529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).