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

C23H28N6O — CID 11993960

IUPAC5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-30-19-10-8-18(9-11-19)28-23-15(2)22(27-17-6-4-16(25)5-7-17)20(14-24)21-12-13-26-29(21)23/h8-13,16-17,27-28H,3-7,25H2,1-2H3
InChIKeyXHLAKWSZKRDDME-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.34
Rot. Bonds6

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

5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11993960) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11993960
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O/c1-3-30-19-10-8-18(9-11-19)28-23-15(2)22(27-17-6-4-16(25)5-7-17)20(14-24)21-12-13-26-29(21)23/h8-13,16-17,27-28H,3-7,25H2,1-2H3
InChIKeyXHLAKWSZKRDDME-UHFFFAOYSA-N
XLogP4.34
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11993960) is 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is XHLAKWSZKRDDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-30-19-10-8-18(9-11-19)28-23-15(2)22(27-17-6-4-16(25)5-7-17)20(14-24)21-12-13-26-29(21)23/h8-13,16-17,27-28H,3-7,25H2,1-2H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[(4-aminocyclohexyl)amino]-7-(4-ethoxyanilino)-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 404.52 g/mol, XLogP of 4.34, 6 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-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11993960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).