5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C27H28N6 — CID 11993961

IUPAC5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(NC2CCC(N)CC2)c(C#N)c2ccnn2c1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H28N6/c1-18-26(31-22-13-9-21(29)10-14-22)24(17-28)25-15-16-30-33(25)27(18)32-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-8,11-12,15-16,21-22,31-32H,9-10,13-14,29H2,1H3
InChIKeyKWCLYXSRQBVWLA-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.61
Rot. Bonds5

About 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile

5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11993961) has the molecular formula C27H28N6 and a molecular weight of 436.56 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11993961
Molecular FormulaC27H28N6
Molecular Weight436.56 g/mol
Exact Mass436.24
IUPAC Name5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(NC2CCC(N)CC2)c(C#N)c2ccnn2c1Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H28N6/c1-18-26(31-22-13-9-21(29)10-14-22)24(17-28)25-15-16-30-33(25)27(18)32-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-8,11-12,15-16,21-22,31-32H,9-10,13-14,29H2,1H3
InChIKeyKWCLYXSRQBVWLA-UHFFFAOYSA-N
XLogP5.61
TPSA91.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11993961) is 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1c(NC2CCC(N)CC2)c(C#N)c2ccnn2c1Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is KWCLYXSRQBVWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6/c1-18-26(31-22-13-9-21(29)10-14-22)24(17-28)25-15-16-30-33(25)27(18)32-23-11-7-20(8-12-23)19-5-3-2-4-6-19/h2-8,11-12,15-16,21-22,31-32H,9-10,13-14,29H2,1H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 5.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-6-methyl-7-(4-phenylanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11993961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).