5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile

C24H30N6O — CID 11993962

IUPAC5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H30N6O/c1-3-20-23(28-17-7-5-16(26)6-8-17)21(15-25)22-13-14-27-30(22)24(20)29-18-9-11-19(12-10-18)31-4-2/h9-14,16-17,28-29H,3-8,26H2,1-2H3
InChIKeySYCWDLZRLLVUFE-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.59
Rot. Bonds7

About 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile

5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11993962) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11993962
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(CC)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H30N6O/c1-3-20-23(28-17-7-5-16(26)6-8-17)21(15-25)22-13-14-27-30(22)24(20)29-18-9-11-19(12-10-18)31-4-2/h9-14,16-17,28-29H,3-8,26H2,1-2H3
InChIKeySYCWDLZRLLVUFE-UHFFFAOYSA-N
XLogP4.59
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
[6-(4-Ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-yl]-phenyl-amine
CID 10429369
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11531673
6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyridazin-1-amine
CID 11596752
5-[(3S)-3-piperidylamino]-7-(4-ethoxyphenylamino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11852873
5-[(4-Aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993960
7-(4-Ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
CID 11993963

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11993962) is 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(CC)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is SYCWDLZRLLVUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-3-20-23(28-17-7-5-16(26)6-8-17)21(15-25)22-13-14-27-30(22)24(20)29-18-9-11-19(12-10-18)31-4-2/h9-14,16-17,28-29H,3-8,26H2,1-2H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 418.55 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11993962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).