(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one

C17H24F3N3O3 — CID 126571572

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(C3CCC(O)CC3)c21
InChIInChI=1S/C17H24F3N3O3/c1-10-8-22(15(25)16(2,26)17(18,19)20)9-11-7-21-23(14(10)11)12-3-5-13(24)6-4-12/h7,10,12-13,24,26H,3-6,8-9H2,1-2H3/t10-,12?,13?,16-/m1/s1
InChIKeyQYLLNFSIIZLMHR-VHBSBENZSA-N
MW375.39 g/mol
LogP2.12
Rot. Bonds2

About (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one

(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one (PubChem CID 126571572) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
PubChem CID126571572
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(C3CCC(O)CC3)c21
InChIInChI=1S/C17H24F3N3O3/c1-10-8-22(15(25)16(2,26)17(18,19)20)9-11-7-21-23(14(10)11)12-3-5-13(24)6-4-12/h7,10,12-13,24,26H,3-6,8-9H2,1-2H3/t10-,12?,13?,16-/m1/s1
InChIKeyQYLLNFSIIZLMHR-VHBSBENZSA-N
XLogP2.12
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one (CID 126571572) is (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one is C[C@@H]1CN(C(=O)[C@@](C)(O)C(F)(F)F)Cc2cnn(C3CCC(O)CC3)c21.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one?
The InChIKey is QYLLNFSIIZLMHR-VHBSBENZSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c1-10-8-22(15(25)16(2,26)17(18,19)20)9-11-7-21-23(14(10)11)12-3-5-13(24)6-4-12/h7,10,12-13,24,26H,3-6,8-9H2,1-2H3/t10-,12?,13?,16-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one?
(2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one has a molecular weight of 375.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-1-[(7R)-1-(4-hydroxycyclohexyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methylpropan-1-one is sourced from PubChem (CID 126571572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).