2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

C27H33N7O — CID 134440886

About 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol

2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (PubChem CID 134440886) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
• PubChem CID: 134440886
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol
• SMILES: Cc1ccc(-c2nn(CC3CC3)c(Nc3cc(-n4nc(C)c(C(C)(C)O)c4C)ncn3)c2C)cc1
• InChI: InChI=1S/C27H33N7O/c1-16-7-11-21(12-8-16)25-17(2)26(33(32-25)14-20-9-10-20)30-22-13-23(29-15-28-22)34-19(4)24(18(3)31-34)27(5,6)35/h7-8,11-13,15,20,35H,9-10,14H2,1-6H3,(H,28,29,30)
• InChIKey: HWVMDHMMVRAJAH-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 93.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?

The IUPAC name of 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol (CID 134440886) is 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol.

What is the SMILES notation for 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?

The canonical SMILES for 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is Cc1ccc(-c2nn(CC3CC3)c(Nc3cc(-n4nc(C)c(C(C)(C)O)c4C)ncn3)c2C)cc1.

What is the InChIKey of 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?

The InChIKey is HWVMDHMMVRAJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-16-7-11-21(12-8-16)25-17(2)26(33(32-25)14-20-9-10-20)30-22-13-23(29-15-28-22)34-19(4)24(18(3)31-34)27(5,6)35/h7-8,11-13,15,20,35H,9-10,14H2,1-6H3,(H,28,29,30).

What are the key properties of 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol?

2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol has a molecular weight of 471.61 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-[[1-(cyclopropylmethyl)-4-methyl-3-(4-methylphenyl)pyrazol-5-yl]amino]pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]propan-2-ol is sourced from PubChem (CID 134440886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).