[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone

C24H24F5N5O2 — CID 138624141

IUPAC[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2COc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C24H24F5N5O2/c1-14-4-6-18(30-9-14)17-11-33(3)32-21(17)22(35)34-13-23(25,26)8-15(2)19(34)12-36-20-7-5-16(10-31-20)24(27,28)29/h4-7,9-11,15,19H,8,12-13H2,1-3H3/t15-,19?/m1/s1
InChIKeyZOWNXTZNIXAKKU-NYRJJRHWSA-N
MW509.48 g/mol
LogP4.77
Rot. Bonds5

About [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone

[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone (PubChem CID 138624141) has the molecular formula C24H24F5N5O2 and a molecular weight of 509.48 g/mol. Its IUPAC name is [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
PubChem CID138624141
Molecular FormulaC24H24F5N5O2
Molecular Weight509.48 g/mol
Exact Mass509.19
IUPAC Name[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
SMILESCc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2COc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C24H24F5N5O2/c1-14-4-6-18(30-9-14)17-11-33(3)32-21(17)22(35)34-13-23(25,26)8-15(2)19(34)12-36-20-7-5-16(10-31-20)24(27,28)29/h4-7,9-11,15,19H,8,12-13H2,1-3H3/t15-,19?/m1/s1
InChIKeyZOWNXTZNIXAKKU-NYRJJRHWSA-N
XLogP4.77
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The IUPAC name of [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone (CID 138624141) is [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The canonical SMILES for [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone is Cc1ccc(-c2cn(C)nc2C(=O)N2CC(F)(F)C[C@@H](C)C2COc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
The InChIKey is ZOWNXTZNIXAKKU-NYRJJRHWSA-N. The full InChI is InChI=1S/C24H24F5N5O2/c1-14-4-6-18(30-9-14)17-11-33(3)32-21(17)22(35)34-13-23(25,26)8-15(2)19(34)12-36-20-7-5-16(10-31-20)24(27,28)29/h4-7,9-11,15,19H,8,12-13H2,1-3H3/t15-,19?/m1/s1.
What are the key properties of [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone?
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone has a molecular weight of 509.48 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 138624141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).