4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C23H25N7O — CID 54586508

IUPAC4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1cc(-c2cn(C)nc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1
InChIInChI=1S/C23H25N7O/c1-28-15-18(14-25-28)21-16-29(2)27-23(21)17-7-8-24-22(13-17)26-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,24,26)
InChIKeySYAAJXCWEGGAFG-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.46
Rot. Bonds5

About 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 54586508) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID54586508
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1cc(-c2cn(C)nc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1
InChIInChI=1S/C23H25N7O/c1-28-15-18(14-25-28)21-16-29(2)27-23(21)17-7-8-24-22(13-17)26-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,24,26)
InChIKeySYAAJXCWEGGAFG-UHFFFAOYSA-N
XLogP3.46
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 54586508) is 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cn1cc(-c2cn(C)nc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1.
What is the InChIKey of 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is SYAAJXCWEGGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-28-15-18(14-25-28)21-16-29(2)27-23(21)17-7-8-24-22(13-17)26-19-3-5-20(6-4-19)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3,(H,24,26).
What are the key properties of 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 54586508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).