2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol

C21H26N8O — CID 90183463

IUPAC2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
SMILESCc1nc2cnc(Nc3ccnc(-c4cnn(C(C)(C)CO)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H26N8O/c1-13(2)29-14(3)25-16-10-23-19(8-17(16)29)26-18-6-7-22-20(27-18)15-9-24-28(11-15)21(4,5)12-30/h6-11,13,30H,12H2,1-5H3,(H,22,23,26,27)
InChIKeyXWAVJZOHJVAPRM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.45
Rot. Bonds6

About 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol

2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol (PubChem CID 90183463) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
PubChem CID90183463
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol
SMILESCc1nc2cnc(Nc3ccnc(-c4cnn(C(C)(C)CO)c4)n3)cc2n1C(C)C
InChIInChI=1S/C21H26N8O/c1-13(2)29-14(3)25-16-10-23-19(8-17(16)29)26-18-6-7-22-20(27-18)15-9-24-28(11-15)21(4,5)12-30/h6-11,13,30H,12H2,1-5H3,(H,22,23,26,27)
InChIKeyXWAVJZOHJVAPRM-UHFFFAOYSA-N
XLogP3.45
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol (CID 90183463) is 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol is Cc1nc2cnc(Nc3ccnc(-c4cnn(C(C)(C)CO)c4)n3)cc2n1C(C)C.
What is the InChIKey of 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol?
The InChIKey is XWAVJZOHJVAPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O/c1-13(2)29-14(3)25-16-10-23-19(8-17(16)29)26-18-6-7-22-20(27-18)15-9-24-28(11-15)21(4,5)12-30/h6-11,13,30H,12H2,1-5H3,(H,22,23,26,27).
What are the key properties of 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol?
2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol has a molecular weight of 406.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 90183463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).