7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C27H36N6O — CID 11993963

IUPAC7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(NCC(C)C)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H36N6O/c1-5-34-23-12-10-22(11-13-23)32-27-19(4)26(24(16-28)25-14-15-30-33(25)27)31-21-8-6-20(7-9-21)29-17-18(2)3/h10-15,18,20-21,29,31-32H,5-9,17H2,1-4H3
InChIKeyRAYFRVFCXYSZSL-UHFFFAOYSA-N
MW460.63 g/mol
LogP5.63
Rot. Bonds9

About 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11993963) has the molecular formula C27H36N6O and a molecular weight of 460.63 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11993963
Molecular FormulaC27H36N6O
Molecular Weight460.63 g/mol
Exact Mass460.30
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(NCC(C)C)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C27H36N6O/c1-5-34-23-12-10-22(11-13-23)32-27-19(4)26(24(16-28)25-14-15-30-33(25)27)31-21-8-6-20(7-9-21)29-17-18(2)3/h10-15,18,20-21,29,31-32H,5-9,17H2,1-4H3
InChIKeyRAYFRVFCXYSZSL-UHFFFAOYSA-N
XLogP5.63
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.63
LogP ≤ 55.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11993963) is 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NC3CCC(NCC(C)C)CC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is RAYFRVFCXYSZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O/c1-5-34-23-12-10-22(11-13-23)32-27-19(4)26(24(16-28)25-14-15-30-33(25)27)31-21-8-6-20(7-9-21)29-17-18(2)3/h10-15,18,20-21,29,31-32H,5-9,17H2,1-4H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 460.63 g/mol, XLogP of 5.63, 9 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-[[4-(2-methylpropylamino)cyclohexyl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11993963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).