1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one

C19H17F3N2O3 — CID 59389284

IUPAC1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one
SMILESCOc1ccc(C(=O)CCOCc2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H17F3N2O3/c1-26-18-8-7-14(15-11-17(19(20,21)22)23-24(15)18)16(25)9-10-27-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyPHNSUFXQRRSHQT-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.15
Rot. Bonds7

About 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one

1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one (PubChem CID 59389284) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one
PubChem CID59389284
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one
SMILESCOc1ccc(C(=O)CCOCc2ccccc2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C19H17F3N2O3/c1-26-18-8-7-14(15-11-17(19(20,21)22)23-24(15)18)16(25)9-10-27-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyPHNSUFXQRRSHQT-UHFFFAOYSA-N
XLogP4.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-4-[(E)-1-phenyl-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 58013953
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]propan-1-ol
CID 59389385
1-[2-(difluoromethyl)-7-methoxypyrazolo[1,5-a]pyridin-4-yl]propan-1-one
CID 59389282
7-methoxy-2-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde
CID 59389347
7-methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 24798187
(E)-3-methyl-5-phenylmethoxypent-2-enoic acid
CID 101149909
1-phenylmethoxyhexane-3,4-dione
CID 561127
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]oxypentanoic acid
CID 141027256
4-phenylmethoxy-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]butanamide
CID 49387025
4-phenylmethoxy-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]butanamide
CID 94363724

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one?
The IUPAC name of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one (CID 59389284) is 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one?
The canonical SMILES for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one is COc1ccc(C(=O)CCOCc2ccccc2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one?
The InChIKey is PHNSUFXQRRSHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-26-18-8-7-14(15-11-17(19(20,21)22)23-24(15)18)16(25)9-10-27-12-13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one?
1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one has a molecular weight of 378.35 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]-3-phenylmethoxypropan-1-one is sourced from PubChem (CID 59389284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).