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

C32H38N8O2 — CID 121272097

IUPAC1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCc1cn(C)c2cc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C32H38N8O2/c1-22-21-37(2)29-19-24(5-7-25(22)29)33-31-20-28(34-32(35-31)40-12-16-42-17-13-40)23-4-6-26-27(36-38(3)30(26)18-23)8-9-39-10-14-41-15-11-39/h4-7,18-21H,8-17H2,1-3H3,(H,33,34,35)
InChIKeyVREOUAAGOSSBAW-UHFFFAOYSA-N
MW566.71 g/mol
LogP4.29
Rot. Bonds7

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

1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (PubChem CID 121272097) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
PubChem CID121272097
Molecular FormulaC32H38N8O2
Molecular Weight566.71 g/mol
Exact Mass566.31
IUPAC Name1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCc1cn(C)c2cc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)ccc12
InChIInChI=1S/C32H38N8O2/c1-22-21-37(2)29-19-24(5-7-25(22)29)33-31-20-28(34-32(35-31)40-12-16-42-17-13-40)23-4-6-26-27(36-38(3)30(26)18-23)8-9-39-10-14-41-15-11-39/h4-7,18-21H,8-17H2,1-3H3,(H,33,34,35)
InChIKeyVREOUAAGOSSBAW-UHFFFAOYSA-N
XLogP4.29
TPSA85.50 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.71
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-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 1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (CID 121272097) is 1,3-dimethyl-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 1,3-dimethyl-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 1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is Cc1cn(C)c2cc(Nc3cc(-c4ccc5c(CCN6CCOCC6)nn(C)c5c4)nc(N4CCOCC4)n3)ccc12.
What is the InChIKey of 1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The InChIKey is VREOUAAGOSSBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-22-21-37(2)29-19-24(5-7-25(22)29)33-31-20-28(34-32(35-31)40-12-16-42-17-13-40)23-4-6-26-27(36-38(3)30(26)18-23)8-9-39-10-14-41-15-11-39/h4-7,18-21H,8-17H2,1-3H3,(H,33,34,35).
What are the key properties of 1,3-dimethyl-N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
1,3-dimethyl-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 566.71 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-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 121272097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).