ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate

C27H23F3N4O3 — CID 149163975

IUPACethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)C(c1ccc(C(F)(F)F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2
InChIInChI=1S/C27H23F3N4O3/c1-3-37-26(36)22-13-20-10-15(2)24(23(35)12-16-4-9-21-18(11-16)14-31-32-21)25(34(20)33-22)17-5-7-19(8-6-17)27(28,29)30/h4-9,11,13-14,25H,3,10,12H2,1-2H3,(H,31,32)
InChIKeyWXTBQVNFXLMINM-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.23
Rot. Bonds6

About ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 149163975) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID149163975
Molecular FormulaC27H23F3N4O3
Molecular Weight508.50 g/mol
Exact Mass508.17
IUPAC Nameethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)C(c1ccc(C(F)(F)F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2
InChIInChI=1S/C27H23F3N4O3/c1-3-37-26(36)22-13-20-10-15(2)24(23(35)12-16-4-9-21-18(11-16)14-31-32-21)25(34(20)33-22)17-5-7-19(8-6-17)27(28,29)30/h4-9,11,13-14,25H,3,10,12H2,1-2H3,(H,31,32)
InChIKeyWXTBQVNFXLMINM-UHFFFAOYSA-N
XLogP5.23
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate with MolForge

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Related Compounds

hCA XII-IN-2c
CID 145965551
methyl 3-(1-butylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 145975721
Tetrahydro-benzodipyrazole deriv. 6i
CID 135403053
methyl 3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylate
CID 70690937
Ethyl 5-(1h-indol-3-yl)-1h-pyrazole-3-carboxylate
CID 4993275
ethyl 5-(1H-indazol-3-ylcarbonyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136171
1H-indazol-7-ylmethyl 1-methyl-5-propan-2-ylpyrazole-3-carboxylate
CID 86778213
ethyl 3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1H-pyrazole-5-carboxylate
CID 10186186
2-(dimethylamino)ethyl 6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylate
CID 25224871
ethyl 6-(4-(3-(trifluoromethyl)benzamido)phenyl)-1H-indazole-3-carboxylate
CID 46234711
ethyl 6-[4-[[1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46234713
ethyl 6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46235932

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate (CID 149163975) is ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1cc2n(n1)C(c1ccc(C(F)(F)F)cc1)C(C(=O)Cc1ccc3[nH]ncc3c1)=C(C)C2.
What is the InChIKey of ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is WXTBQVNFXLMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c1-3-37-26(36)22-13-20-10-15(2)24(23(35)12-16-4-9-21-18(11-16)14-31-32-21)25(34(20)33-22)17-5-7-19(8-6-17)27(28,29)30/h4-9,11,13-14,25H,3,10,12H2,1-2H3,(H,31,32).
What are the key properties of ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 508.50 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-(1H-indazol-5-yl)acetyl]-5-methyl-7-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 149163975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).