1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine

C31H36N8O2 — CID 121276074

IUPAC1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C31H36N8O2/c1-36-9-7-22-3-5-24(20-28(22)36)32-30-21-27(33-31(34-30)39-13-17-41-18-14-39)23-4-6-25-26(35-37(2)29(25)19-23)8-10-38-11-15-40-16-12-38/h3-7,9,19-21H,8,10-18H2,1-2H3,(H,32,33,34)
InChIKeyRCCNWLHXNQAJGQ-UHFFFAOYSA-N
MW552.68 g/mol
LogP3.98
Rot. Bonds7

About 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine

1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (PubChem CID 121276074) has the molecular formula C31H36N8O2 and a molecular weight of 552.68 g/mol. Its IUPAC name is 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.

Molecular Properties

Compound Name1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
PubChem CID121276074
Molecular FormulaC31H36N8O2
Molecular Weight552.68 g/mol
Exact Mass552.30
IUPAC Name1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C31H36N8O2/c1-36-9-7-22-3-5-24(20-28(22)36)32-30-21-27(33-31(34-30)39-13-17-41-18-14-39)23-4-6-25-26(35-37(2)29(25)19-23)8-10-38-11-15-40-16-12-38/h3-7,9,19-21H,8,10-18H2,1-2H3,(H,32,33,34)
InChIKeyRCCNWLHXNQAJGQ-UHFFFAOYSA-N
XLogP3.98
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.68
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The IUPAC name of 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (CID 121276074) is 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.
What is the SMILES notation for 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The canonical SMILES for 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is Cn1ccc2ccc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The InChIKey is RCCNWLHXNQAJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O2/c1-36-9-7-22-3-5-24(20-28(22)36)32-30-21-27(33-31(34-30)39-13-17-41-18-14-39)23-4-6-25-26(35-37(2)29(25)19-23)8-10-38-11-15-40-16-12-38/h3-7,9,19-21H,8,10-18H2,1-2H3,(H,32,33,34).
What are the key properties of 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine has a molecular weight of 552.68 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is sourced from PubChem (CID 121276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).