1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol

C24H26N6O — CID 90335118

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21
InChIInChI=1S/C24H26N6O/c1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30/h2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27)
InChIKeyVOJDZJGLSUFEGA-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.86
Rot. Bonds6

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol (PubChem CID 90335118) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
PubChem CID90335118
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol
SMILESCn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21
InChIInChI=1S/C24H26N6O/c1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30/h2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27)
InChIKeyVOJDZJGLSUFEGA-UHFFFAOYSA-N
XLogP2.86
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol 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-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol (CID 90335118) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol is Cn1ncc2ccc(-c3cc(NCC(O)CN4CCc5ccccc5C4)ncn3)cc21.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol?
The InChIKey is VOJDZJGLSUFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-29-23-10-18(6-7-19(23)12-28-29)22-11-24(27-16-26-22)25-13-21(31)15-30-9-8-17-4-2-3-5-20(17)14-30/h2-7,10-12,16,21,31H,8-9,13-15H2,1H3,(H,25,26,27).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol has a molecular weight of 414.51 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 90335118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).