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

C32H38N8O2 — CID 121272456

IUPAC1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine
SMILESCc1cc2ccc(Nc3ccnc(N4CCOC(c5ccc6c(CCN7CCOCC7)nn(C)c6c5)C4)n3)cc2n1C
InChIInChI=1S/C32H38N8O2/c1-22-18-23-4-6-25(20-28(23)37(22)2)34-31-8-10-33-32(35-31)40-14-17-42-30(21-40)24-5-7-26-27(36-38(3)29(26)19-24)9-11-39-12-15-41-16-13-39/h4-8,10,18-20,30H,9,11-17,21H2,1-3H3,(H,33,34,35)
InChIKeyXOHZCJZUORKCAM-UHFFFAOYSA-N
MW566.71 g/mol
LogP4.36
Rot. Bonds7

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

1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine (PubChem CID 121272456) has the molecular formula C32H38N8O2 and a molecular weight of 566.71 g/mol. Its IUPAC name is 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine
PubChem CID121272456
Molecular FormulaC32H38N8O2
Molecular Weight566.71 g/mol
Exact Mass566.31
IUPAC Name1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine
SMILESCc1cc2ccc(Nc3ccnc(N4CCOC(c5ccc6c(CCN7CCOCC7)nn(C)c6c5)C4)n3)cc2n1C
InChIInChI=1S/C32H38N8O2/c1-22-18-23-4-6-25(20-28(23)37(22)2)34-31-8-10-33-32(35-31)40-14-17-42-30(21-40)24-5-7-26-27(36-38(3)29(26)19-24)9-11-39-12-15-41-16-13-39/h4-8,10,18-20,30H,9,11-17,21H2,1-3H3,(H,33,34,35)
InChIKeyXOHZCJZUORKCAM-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine?
The IUPAC name of 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine (CID 121272456) is 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine.
What is the SMILES notation for 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine?
The canonical SMILES for 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine is Cc1cc2ccc(Nc3ccnc(N4CCOC(c5ccc6c(CCN7CCOCC7)nn(C)c6c5)C4)n3)cc2n1C.
What is the InChIKey of 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine?
The InChIKey is XOHZCJZUORKCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O2/c1-22-18-23-4-6-25(20-28(23)37(22)2)34-31-8-10-33-32(35-31)40-14-17-42-30(21-40)24-5-7-26-27(36-38(3)29(26)19-24)9-11-39-12-15-41-16-13-39/h4-8,10,18-20,30H,9,11-17,21H2,1-3H3,(H,33,34,35).
What are the key properties of 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine?
1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine has a molecular weight of 566.71 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[2-[2-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]morpholin-4-yl]pyrimidin-4-yl]indol-6-amine is sourced from PubChem (CID 121272456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).