N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

C23H24N6O2 — CID 59789810

IUPACN-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1C
InChIInChI=1S/C23H24N6O2/c1-15-11-16(3-6-21(15)30-2)20-13-22(27-23(26-20)29-7-9-31-10-8-29)25-18-4-5-19-17(12-18)14-24-28-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMOYGRPDDFRMRQR-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.92
Rot. Bonds5

About N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 59789810) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID59789810
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1C
InChIInChI=1S/C23H24N6O2/c1-15-11-16(3-6-21(15)30-2)20-13-22(27-23(26-20)29-7-9-31-10-8-29)25-18-4-5-19-17(12-18)14-24-28-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,25,26,27)
InChIKeyMOYGRPDDFRMRQR-UHFFFAOYSA-N
XLogP3.92
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (CID 59789810) is N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is COc1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1C.
What is the InChIKey of N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is MOYGRPDDFRMRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-11-16(3-6-21(15)30-2)20-13-22(27-23(26-20)29-7-9-31-10-8-29)25-18-4-5-19-17(12-18)14-24-28-19/h3-6,11-14H,7-10H2,1-2H3,(H,24,28)(H,25,26,27).
What are the key properties of N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 416.49 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 59789810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).