4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C19H22N6O — CID 117078839

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ncc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1N
InChIInChI=1S/C19H22N6O/c1-24-19(20)17(13-22-24)14-6-7-21-18(12-14)23-15-2-4-16(5-3-15)25-8-10-26-11-9-25/h2-7,12-13H,8-11,20H2,1H3,(H,21,23)
InChIKeyBMIQMPXTQBILEI-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.64
Rot. Bonds4

About 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 117078839) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID117078839
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ncc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1N
InChIInChI=1S/C19H22N6O/c1-24-19(20)17(13-22-24)14-6-7-21-18(12-14)23-15-2-4-16(5-3-15)25-8-10-26-11-9-25/h2-7,12-13H,8-11,20H2,1H3,(H,21,23)
InChIKeyBMIQMPXTQBILEI-UHFFFAOYSA-N
XLogP2.64
TPSA81.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-(3-aminopyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117076740
4-(2-methoxy-5-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117465938
4-(5-chloro-2-morpholin-4-ylphenyl)-1-methylpyrazol-5-amine
CID 117472734
N-[1-methyl-3-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]pyrazol-5-yl]-2-phenylacetamide
CID 117078785
N-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 141440785
2-N-(4-piperidin-1-ylphenyl)pyridine-2,4-diamine
CID 63179146
tert-butyl 4-[3-amino-5-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]-1H-pyrrol-2-yl]piperazine-1-carboxylate
CID 71123034
N-(cyanomethyl)-4-[2-(4-morpholin-4-ylanilino)-4-pyridinyl]benzamide
CID 25059367
4-[4-(4-fluorophenyl)-5-phenyl-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 72946275
N-(4-morpholin-4-ylphenyl)-4-(2-phenylimidazol-1-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 117076818
N-(4-morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
CID 127031677

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 117078839) is 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cn1ncc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)c1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is BMIQMPXTQBILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24-19(20)17(13-22-24)14-6-7-21-18(12-14)23-15-2-4-16(5-3-15)25-8-10-26-11-9-25/h2-7,12-13H,8-11,20H2,1H3,(H,21,23).
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 350.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 117078839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).