6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine

C26H26N8O — CID 121272146

IUPAC6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccc(-c2ccc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C26H26N8O/c1-32-10-9-22(31-32)18-5-7-21(8-6-18)28-25-16-23(29-26(30-25)34-11-13-35-14-12-34)19-3-4-20-17-27-33(2)24(20)15-19/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,30)
InChIKeyWQIWSCLSEYVQAM-UHFFFAOYSA-N
MW466.55 g/mol
LogP4.01
Rot. Bonds5

About 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine

6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 121272146) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID121272146
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC Name6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine
SMILESCn1ccc(-c2ccc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1
InChIInChI=1S/C26H26N8O/c1-32-10-9-22(31-32)18-5-7-21(8-6-18)28-25-16-23(29-26(30-25)34-11-13-35-14-12-34)19-3-4-20-17-27-33(2)24(20)15-19/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,30)
InChIKeyWQIWSCLSEYVQAM-UHFFFAOYSA-N
XLogP4.01
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine (CID 121272146) is 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine is Cn1ccc(-c2ccc(Nc3cc(-c4ccc5cnn(C)c5c4)nc(N4CCOCC4)n3)cc2)n1.
What is the InChIKey of 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is WQIWSCLSEYVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O/c1-32-10-9-22(31-32)18-5-7-21(8-6-18)28-25-16-23(29-26(30-25)34-11-13-35-14-12-34)19-3-4-20-17-27-33(2)24(20)15-19/h3-10,15-17H,11-14H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine?
6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 466.55 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylindazol-6-yl)-N-[4-(1-methylpyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 121272146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).