(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone

C25H21F3N4O2 — CID 155383470

IUPAC(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nn2ccccc12)N1CCCC1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2
InChIKeyFELVLTZVNHTJLR-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.10
Rot. Bonds5

About (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone

(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone (PubChem CID 155383470) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
PubChem CID155383470
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1c(-c2ccccc2)nn2ccccc12)N1CCCC1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2
InChIKeyFELVLTZVNHTJLR-UHFFFAOYSA-N
XLogP5.10
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone (CID 155383470) is (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone is O=C(c1c(-c2ccccc2)nn2ccccc12)N1CCCC1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
The InChIKey is FELVLTZVNHTJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)18-11-12-21(29-15-18)34-16-19-9-6-13-31(19)24(33)22-20-10-4-5-14-32(20)30-23(22)17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15,19H,6,9,13,16H2.
What are the key properties of (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone?
(2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone has a molecular weight of 466.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrazolo[1,5-a]pyridin-3-yl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 155383470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).