2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol

C32H37F3N8O2 — CID 162723980

IUPAC2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol
SMILESCc1cc(C(O)CNCc2cc(C(O)CN)n3nc(C4CCC(C)CC4)cc3n2)n2nc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C32H37F3N8O2/c1-18-3-5-20(6-4-18)25-14-31-39-23(12-27(28(44)15-36)43(31)41-25)16-37-17-29(45)26-11-19(2)38-30-13-24(40-42(26)30)21-7-9-22(10-8-21)32(33,34)35/h7-14,18,20,28-29,37,44-45H,3-6,15-17,36H2,1-2H3
InChIKeyYAPKXYQAWJZPLP-UHFFFAOYSA-N
MW622.70 g/mol
LogP4.88
Rot. Bonds9

About 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol

2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol (PubChem CID 162723980) has the molecular formula C32H37F3N8O2 and a molecular weight of 622.70 g/mol. Its IUPAC name is 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol
PubChem CID162723980
Molecular FormulaC32H37F3N8O2
Molecular Weight622.70 g/mol
Exact Mass622.30
IUPAC Name2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol
SMILESCc1cc(C(O)CNCc2cc(C(O)CN)n3nc(C4CCC(C)CC4)cc3n2)n2nc(-c3ccc(C(F)(F)F)cc3)cc2n1
InChIInChI=1S/C32H37F3N8O2/c1-18-3-5-20(6-4-18)25-14-31-39-23(12-27(28(44)15-36)43(31)41-25)16-37-17-29(45)26-11-19(2)38-30-13-24(40-42(26)30)21-7-9-22(10-8-21)32(33,34)35/h7-14,18,20,28-29,37,44-45H,3-6,15-17,36H2,1-2H3
InChIKeyYAPKXYQAWJZPLP-UHFFFAOYSA-N
XLogP4.88
TPSA138.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.70
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol (CID 162723980) is 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol is Cc1cc(C(O)CNCc2cc(C(O)CN)n3nc(C4CCC(C)CC4)cc3n2)n2nc(-c3ccc(C(F)(F)F)cc3)cc2n1.
What is the InChIKey of 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol?
The InChIKey is YAPKXYQAWJZPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F3N8O2/c1-18-3-5-20(6-4-18)25-14-31-39-23(12-27(28(44)15-36)43(31)41-25)16-37-17-29(45)26-11-19(2)38-30-13-24(40-42(26)30)21-7-9-22(10-8-21)32(33,34)35/h7-14,18,20,28-29,37,44-45H,3-6,15-17,36H2,1-2H3.
What are the key properties of 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol?
2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol has a molecular weight of 622.70 g/mol, XLogP of 4.88, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-[[[2-hydroxy-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]amino]methyl]-2-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 162723980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).