5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

C26H34N6O — CID 45485217

IUPAC5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3
InChIKeyVYMSNEOWGOFYJM-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.38
Rot. Bonds10

About 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485217) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485217
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3
InChIKeyVYMSNEOWGOFYJM-UHFFFAOYSA-N
XLogP5.38
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
N-[4-cyano-5-[3-(cyclohexylamino)propylamino]-6-methylpyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)formamide
CID 142692127
7-(4-ethoxyanilino)-6-methyl-5-(piperidin-2-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile;2,2,2-trifluoroacetic acid
CID 69282951
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
5-amino-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 143308450
(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
tert-butyl N-[4-cyano-6-methyl-5-(pyrrolidin-2-ylmethylamino)pyrazolo[1,5-a]pyridin-7-yl]-N-(4-ethoxyphenyl)carbamate
CID 69275231
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 68827442
N-cyclopentyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 115689729
5-(4-ethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375285

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485217) is 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is VYMSNEOWGOFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-3-33-22-12-10-21(11-13-22)31-26-19(2)25(23(18-27)24-14-17-30-32(24)26)29-16-7-15-28-20-8-5-4-6-9-20/h10-14,17,20,28-29,31H,3-9,15-16H2,1-2H3.
What are the key properties of 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 446.60 g/mol, XLogP of 5.38, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclohexylamino)propylamino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).