5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile

C34H22F9N5O2 — CID 142362606

IUPAC5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(C(F)(F)F)c2c1.N#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4c3)cc2)CC1
InChIInChI=1S/C18H12F3N3.C16H10F6N2O2/c19-18(20,21)15-10-23-24-8-5-13(9-16(15)24)12-1-3-14(4-2-12)17(11-22)6-7-17;1-25-14-7-10(26-16(20,21)22)2-3-11(14)9-4-5-24-13(6-9)12(8-23-24)15(17,18)19/h1-5,8-10H,6-7H2;2-8H,1H3
InChIKeyRAVAWDCWTVVRCR-UHFFFAOYSA-N
MW703.57 g/mol
LogP9.50
Rot. Bonds5

About 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile

5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile (PubChem CID 142362606) has the molecular formula C34H22F9N5O2 and a molecular weight of 703.57 g/mol. Its IUPAC name is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile
PubChem CID142362606
Molecular FormulaC34H22F9N5O2
Molecular Weight703.57 g/mol
Exact Mass703.16
IUPAC Name5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile
SMILESCOc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(C(F)(F)F)c2c1.N#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4c3)cc2)CC1
InChIInChI=1S/C18H12F3N3.C16H10F6N2O2/c19-18(20,21)15-10-23-24-8-5-13(9-16(15)24)12-1-3-14(4-2-12)17(11-22)6-7-17;1-25-14-7-10(26-16(20,21)22)2-3-11(14)9-4-5-24-13(6-9)12(8-23-24)15(17,18)19/h1-5,8-10H,6-7H2;2-8H,1H3
InChIKeyRAVAWDCWTVVRCR-UHFFFAOYSA-N
XLogP9.50
TPSA76.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.57
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-Methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 134542569
3-Iodo-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 134543292
5-[2-Methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 134543649
2-(2,4-Dimethoxyphenyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-ol
CID 137104275
7-(difluoromethyl)-3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-1-[(3R)-1-prop-2-enylpyrrolidin-3-yl]pyrazolo[4,3-c]pyridine
CID 141741506
Ethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylpyrazolo[1,5-a]pyridine
CID 142362568
3-[2-(2,5-Dimethylphenoxy)pyridin-4-yl]-2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 142661430
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-1-[(3S)-1-prop-2-enylpyrrolidin-3-yl]pyrazolo[4,3-c]pyridine
CID 146616161
N'-[(2,4-dimethoxyphenyl)methyl]-1-(12,12-dimethyltridecoxymethyl)-6-[5-fluoro-4-methoxy-2-(2,2,2-trifluoroethyl)phenyl]pyrazolo[4,3-c]pyridine-3-carboximidamide
CID 150480205
2-[3-[4-[1-[(2-Fluorocyclopropyl)-methylamino]ethenyl]-3,5-dimethoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropanenitrile
CID 155727382
2-[3-[3-(Difluoromethoxy)-4-[1-[(2-fluorocyclopropyl)-methylamino]ethenyl]-5-methoxyphenyl]pyrazolo[1,5-a]pyridin-6-yl]-2-methylpropan-1-ol
CID 155727676
3-(1,1-Difluoroethyl)-5-[4-(2-methoxypropan-2-yl)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;1-[4-[3-(1,1-difluoroethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile;5-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 159492007

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile (CID 142362606) is 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile is COc1cc(OC(F)(F)F)ccc1-c1ccn2ncc(C(F)(F)F)c2c1.N#CC1(c2ccc(-c3ccn4ncc(C(F)(F)F)c4c3)cc2)CC1.
What is the InChIKey of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile?
The InChIKey is RAVAWDCWTVVRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3.C16H10F6N2O2/c19-18(20,21)15-10-23-24-8-5-13(9-16(15)24)12-1-3-14(4-2-12)17(11-22)6-7-17;1-25-14-7-10(26-16(20,21)22)2-3-11(14)9-4-5-24-13(6-9)12(8-23-24)15(17,18)19/h1-5,8-10H,6-7H2;2-8H,1H3.
What are the key properties of 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile?
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile has a molecular weight of 703.57 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine;1-[4-[3-(trifluoromethyl)pyrazolo[1,5-a]pyridin-5-yl]phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 142362606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).