7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C22H26N6O — CID 45485175

IUPAC7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3
InChIKeyQYALDGAIWALYFY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.68
Rot. Bonds7

About 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485175) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485175
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3
InChIKeyQYALDGAIWALYFY-UHFFFAOYSA-N
XLogP3.68
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-(2,3-Dihydro-1-(4-methoxy-2-methylphenyl)-6-methyl-1H-pyrrolo(2,3-b)pyridin-4-yl)-1H-pyrazol-3-yl)-2-imidazolidinone
CID 11223423
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
1-(4-methoxyphenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093249
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
1-[1-[1-(4-Ethoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
CID 11235455
2-[1-[1-(4-Methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,2,5-thiadiazolidine 1,1-dioxide
CID 11247672
3-[1-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1H-imidazol-2-one
CID 11338604
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485175) is 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is QYALDGAIWALYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 390.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).