5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

C24H30N6O2 — CID 45485180

IUPAC5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H30N6O2/c1-16-23(28-18-5-3-17(26)4-6-18)21(15-25)22-11-12-27-30(22)24(16)29-19-7-9-20(10-8-19)32-14-13-31-2/h7-12,17-18,28-29H,3-6,13-14,26H2,1-2H3
InChIKeyMVWPXCCFPYSVRE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.96
Rot. Bonds8

About 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile

5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485180) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485180
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H30N6O2/c1-16-23(28-18-5-3-17(26)4-6-18)21(15-25)22-11-12-27-30(22)24(16)29-19-7-9-20(10-8-19)32-14-13-31-2/h7-12,17-18,28-29H,3-6,13-14,26H2,1-2H3
InChIKeyMVWPXCCFPYSVRE-UHFFFAOYSA-N
XLogP3.96
TPSA109.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485180) is 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is COCCOc1ccc(Nc2c(C)c(NC3CCC(N)CC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is MVWPXCCFPYSVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-23(28-18-5-3-17(26)4-6-18)21(15-25)22-11-12-27-30(22)24(16)29-19-7-9-20(10-8-19)32-14-13-31-2/h7-12,17-18,28-29H,3-6,13-14,26H2,1-2H3.
What are the key properties of 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile?
5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-7-[4-(2-methoxyethoxy)anilino]-6-methylpyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).