2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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

C32H35N11O — CID 154684845

IUPAC2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4nccc4OC4CCC4)nc3)nc2)n1
InChIInChI=1S/C32H35N11O/c1-20-12-27(37-28-13-21(2)39-40-28)38-32(36-20)23-7-9-29(34-16-23)41-18-24-14-25(19-41)42(24)17-22-6-8-30(33-15-22)43-31(10-11-35-43)44-26-4-3-5-26/h6-13,15-16,24-26H,3-5,14,17-19H2,1-2H3,(H2,36,37,38,39,40)
InChIKeyQVVLAZOSJZOSLP-UHFFFAOYSA-N
MW589.71 g/mol
LogP4.60
Rot. Bonds9

About 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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-cyclobutyloxypyrazol-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 154684845) has the molecular formula C32H35N11O and a molecular weight of 589.71 g/mol. Its IUPAC name is 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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 Name2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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 CID154684845
Molecular FormulaC32H35N11O
Molecular Weight589.71 g/mol
Exact Mass589.30
IUPAC Name2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(N3CC4CC(C3)N4Cc3ccc(-n4nccc4OC4CCC4)nc3)nc2)n1
InChIInChI=1S/C32H35N11O/c1-20-12-27(37-28-13-21(2)39-40-28)38-32(36-20)23-7-9-29(34-16-23)41-18-24-14-25(19-41)42(24)17-22-6-8-30(33-15-22)43-31(10-11-35-43)44-26-4-3-5-26/h6-13,15-16,24-26H,3-5,14,17-19H2,1-2H3,(H2,36,37,38,39,40)
InChIKeyQVVLAZOSJZOSLP-UHFFFAOYSA-N
XLogP4.60
TPSA125.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.71
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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 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 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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-cyclobutyloxypyrazol-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 154684845) is 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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-cyclobutyloxypyrazol-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-cyclobutyloxypyrazol-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(-n4nccc4OC4CCC4)nc3)nc2)n1.
What is the InChIKey of 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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 QVVLAZOSJZOSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N11O/c1-20-12-27(37-28-13-21(2)39-40-28)38-32(36-20)23-7-9-29(34-16-23)41-18-24-14-25(19-41)42(24)17-22-6-8-30(33-15-22)43-31(10-11-35-43)44-26-4-3-5-26/h6-13,15-16,24-26H,3-5,14,17-19H2,1-2H3,(H2,36,37,38,39,40).
What are the key properties of 2-[6-[6-[[6-(5-cyclobutyloxypyrazol-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-cyclobutyloxypyrazol-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 589.71 g/mol, XLogP of 4.60, 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-cyclobutyloxypyrazol-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 154684845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).