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

C23H24N6O3 — CID 117077782

IUPACN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine
SMILESCOc1cc(Nc2cc(-c3nocc3-c3cnn(C)c3)ccn2)ccc1N1CCOCC1
InChIInChI=1S/C23H24N6O3/c1-28-14-17(13-25-28)19-15-32-27-23(19)16-5-6-24-22(11-16)26-18-3-4-20(21(12-18)30-2)29-7-9-31-10-8-29/h3-6,11-15H,7-10H2,1-2H3,(H,24,26)
InChIKeySXWSQSUYNAPQFP-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.73
Rot. Bonds6

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

N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine (PubChem CID 117077782) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine
PubChem CID117077782
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine
SMILESCOc1cc(Nc2cc(-c3nocc3-c3cnn(C)c3)ccn2)ccc1N1CCOCC1
InChIInChI=1S/C23H24N6O3/c1-28-14-17(13-25-28)19-15-32-27-23(19)16-5-6-24-22(11-16)26-18-3-4-20(21(12-18)30-2)29-7-9-31-10-8-29/h3-6,11-15H,7-10H2,1-2H3,(H,24,26)
InChIKeySXWSQSUYNAPQFP-UHFFFAOYSA-N
XLogP3.73
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
CID 71540732
4-iodo-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyridin-2-amine
CID 71540971
5-chloro-N-(3-methoxy-4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 141202625
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-[5-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473561
2-N-[3-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine;2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 176696808
N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]pyridin-2-amine
CID 163287379
3-N-(3-methoxy-4-morpholin-4-ylphenyl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 58976353
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
3-acetyl-7-[[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]amino]-4-morpholin-4-ylchromen-2-one
CID 155677637

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The IUPAC name of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine (CID 117077782) is N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine is COc1cc(Nc2cc(-c3nocc3-c3cnn(C)c3)ccn2)ccc1N1CCOCC1.
What is the InChIKey of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
The InChIKey is SXWSQSUYNAPQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-28-14-17(13-25-28)19-15-32-27-23(19)16-5-6-24-22(11-16)26-18-3-4-20(21(12-18)30-2)29-7-9-31-10-8-29/h3-6,11-15H,7-10H2,1-2H3,(H,24,26).
What are the key properties of N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine?
N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine has a molecular weight of 432.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-morpholin-4-ylphenyl)-4-[4-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 117077782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).