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

C25H30N6O — CID 11994092

IUPAC5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C3CC3)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C25H30N6O/c1-2-32-20-11-9-19(10-12-20)30-25-23(16-3-4-16)24(29-18-7-5-17(27)6-8-18)21(15-26)22-13-14-28-31(22)25/h9-14,16-18,29-30H,2-8,27H2,1H3
InChIKeyGSFDCJSBCRAAKR-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.91
Rot. Bonds7

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

5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11994092) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11994092
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C3CC3)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C25H30N6O/c1-2-32-20-11-9-19(10-12-20)30-25-23(16-3-4-16)24(29-18-7-5-17(27)6-8-18)21(15-26)22-13-14-28-31(22)25/h9-14,16-18,29-30H,2-8,27H2,1H3
InChIKeyGSFDCJSBCRAAKR-UHFFFAOYSA-N
XLogP4.91
TPSA100.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.91
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]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11994092) is 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C3CC3)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is GSFDCJSBCRAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-2-32-20-11-9-19(10-12-20)30-25-23(16-3-4-16)24(29-18-7-5-17(27)6-8-18)21(15-26)22-13-14-28-31(22)25/h9-14,16-18,29-30H,2-8,27H2,1H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[(4-aminocyclohexyl)amino]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 430.56 g/mol, XLogP of 4.91, 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]-6-cyclopropyl-7-(4-ethoxyanilino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).