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

C32H38N8O — CID 121272344

IUPAC1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCCN6CCCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C32H38N8O/c1-37-15-11-23-7-9-25(21-29(23)37)33-31-22-28(34-32(35-31)40-16-18-41-19-17-40)24-8-10-26-27(36-38(2)30(26)20-24)6-5-14-39-12-3-4-13-39/h7-11,15,20-22H,3-6,12-14,16-19H2,1-2H3,(H,33,34,35)
InChIKeyRHSJFGNHPACIKD-UHFFFAOYSA-N
MW550.71 g/mol
LogP5.13
Rot. Bonds8

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

1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (PubChem CID 121272344) has the molecular formula C32H38N8O and a molecular weight of 550.71 g/mol. Its IUPAC name is 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine.

Molecular Properties

Compound Name1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
PubChem CID121272344
Molecular FormulaC32H38N8O
Molecular Weight550.71 g/mol
Exact Mass550.32
IUPAC Name1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine
SMILESCn1ccc2ccc(Nc3cc(-c4ccc5c(CCCN6CCCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21
InChIInChI=1S/C32H38N8O/c1-37-15-11-23-7-9-25(21-29(23)37)33-31-22-28(34-32(35-31)40-16-18-41-19-17-40)24-8-10-26-27(36-38(2)30(26)20-24)6-5-14-39-12-3-4-13-39/h7-11,15,20-22H,3-6,12-14,16-19H2,1-2H3,(H,33,34,35)
InChIKeyRHSJFGNHPACIKD-UHFFFAOYSA-N
XLogP5.13
TPSA76.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The IUPAC name of 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine (CID 121272344) is 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)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-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The canonical SMILES for 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is Cn1ccc2ccc(Nc3cc(-c4ccc5c(CCCN6CCCC6)nn(C)c5c4)nc(N4CCOCC4)n3)cc21.
What is the InChIKey of 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
The InChIKey is RHSJFGNHPACIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N8O/c1-37-15-11-23-7-9-25(21-29(23)37)33-31-22-28(34-32(35-31)40-16-18-41-19-17-40)24-8-10-26-27(36-38(2)30(26)20-24)6-5-14-39-12-3-4-13-39/h7-11,15,20-22H,3-6,12-14,16-19H2,1-2H3,(H,33,34,35).
What are the key properties of 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine?
1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine has a molecular weight of 550.71 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-[1-methyl-3-(3-pyrrolidin-1-ylpropyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]indol-6-amine is sourced from PubChem (CID 121272344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).