2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C31H33N11O — CID 154684910

About 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 154684910) has the molecular formula C31H33N11O and a molecular weight of 575.68 g/mol. Its IUPAC name is 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 154684910
• Molecular Formula: C31H33N11O
• Molecular Weight: 575.68 g/mol
• Exact Mass: 575.29
• IUPAC Name: 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4nccc4OC4CC4)nc3)nc2)n1
• InChI: InChI=1S/C31H33N11O/c1-19-11-26(36-27-12-20(2)38-39-27)37-31(35-19)22-4-8-28(33-15-22)40-17-23-13-24(18-40)41(23)16-21-3-7-29(32-14-21)42-30(9-10-34-42)43-25-5-6-25/h3-4,7-12,14-15,23-25H,5-6,13,16-18H2,1-2H3,(H2,35,36,37,38,39)
• InChIKey: WSJVZLZCLZDQJQ-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 125.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.68
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 154684910) is 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4nccc4OC4CC4)nc3)nc2)n1.

What is the InChIKey of 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is WSJVZLZCLZDQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N11O/c1-19-11-26(36-27-12-20(2)38-39-27)37-31(35-19)22-4-8-28(33-15-22)40-17-23-13-24(18-40)41(23)16-21-3-7-29(32-14-21)42-30(9-10-34-42)43-25-5-6-25/h3-4,7-12,14-15,23-25H,5-6,13,16-18H2,1-2H3,(H2,35,36,37,38,39).

What are the key properties of 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 575.68 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[6-[[6-(5-cyclopropyloxypyrazol-1-yl)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 154684910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).