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

C22H22N6O2 — CID 72946851

IUPAC4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1cc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1
InChIInChI=1S/C22H22N6O2/c1-27-14-17(13-24-27)20-15-30-26-22(20)16-6-7-23-21(12-16)25-18-2-4-19(5-3-18)28-8-10-29-11-9-28/h2-7,12-15H,8-11H2,1H3,(H,23,25)
InChIKeyHTBUQOXMBFBWIL-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.72
Rot. Bonds5

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

4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 72946851) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID72946851
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1cc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1
InChIInChI=1S/C22H22N6O2/c1-27-14-17(13-24-27)20-15-30-26-22(20)16-6-7-23-21(12-16)25-18-2-4-19(5-3-18)28-8-10-29-11-9-28/h2-7,12-15H,8-11H2,1H3,(H,23,25)
InChIKeyHTBUQOXMBFBWIL-UHFFFAOYSA-N
XLogP3.72
TPSA81.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.72
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-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 72946851) is 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cn1cc(-c2conc2-c2ccnc(Nc3ccc(N4CCOCC4)cc3)c2)cn1.
What is the InChIKey of 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is HTBUQOXMBFBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-27-14-17(13-24-27)20-15-30-26-22(20)16-6-7-23-21(12-16)25-18-2-4-19(5-3-18)28-8-10-29-11-9-28/h2-7,12-15H,8-11H2,1H3,(H,23,25).
What are the key properties of 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 402.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 72946851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).