7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid

C25H29F3N6O3 — CID 69282951

IUPAC7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCCCN3)c(C#N)c3ccnn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N6O.C2HF3O2/c1-3-30-19-9-7-17(8-10-19)28-23-16(2)22(26-15-18-6-4-5-12-25-18)20(14-24)21-11-13-27-29(21)23;3-2(4,5)1(6)7/h7-11,13,18,25-26,28H,3-6,12,15H2,1-2H3;(H,6,7)
InChIKeyPLUXSEOPKNZGNI-UHFFFAOYSA-N
MW518.54 g/mol
LogP4.84
Rot. Bonds7

About 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid

7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 69282951) has the molecular formula C25H29F3N6O3 and a molecular weight of 518.54 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID69282951
Molecular FormulaC25H29F3N6O3
Molecular Weight518.54 g/mol
Exact Mass518.23
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCCCN3)c(C#N)c3ccnn23)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H28N6O.C2HF3O2/c1-3-30-19-9-7-17(8-10-19)28-23-16(2)22(26-15-18-6-4-5-12-25-18)20(14-24)21-11-13-27-29(21)23;3-2(4,5)1(6)7/h7-11,13,18,25-26,28H,3-6,12,15H2,1-2H3;(H,6,7)
InChIKeyPLUXSEOPKNZGNI-UHFFFAOYSA-N
XLogP4.84
TPSA123.71 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

7-(4-ethoxyanilino)-6-methyl-5-(2-pyrrolidin-2-ylethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
CID 45485219
7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 69274343
tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
CID 69275231
5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 45485217
5-amino-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 143308450
N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide
CID 142692127
(3S,6S)-6-(benzylamino)-11-(4-ethoxyanilino)-2,12,13-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),8,10,13,15-pentaene-17-carbonitrile
CID 136640436
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
4-[[4-cyano-7-[(4-ethoxybenzoyl)-[(2-methylpropan-2-yl)oxy]amino]-6-methylpyrazolo[1,5-a]pyridin-5-yl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 87761977
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
2-(4-ethoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119509770
N-(4-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670724

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid (CID 69282951) is 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid is CCOc1ccc(Nc2c(C)c(NCC3CCCCN3)c(C#N)c3ccnn23)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is PLUXSEOPKNZGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C2HF3O2/c1-3-30-19-9-7-17(8-10-19)28-23-16(2)22(26-15-18-6-4-5-12-25-18)20(14-24)21-11-13-27-29(21)23;3-2(4,5)1(6)7/h7-11,13,18,25-26,28H,3-6,12,15H2,1-2H3;(H,6,7).
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid?
7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 518.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).