2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol

C32H42N8O — CID 46916490

IUPAC2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12
InChIInChI=1S/C32H42N8O/c1-23(2)28-22-35-40-30(28)36-32(39-17-12-26(13-18-39)25-10-15-38(16-11-25)19-20-41)37-31(40)34-21-24-6-8-27(9-7-24)29-5-3-4-14-33-29/h3-9,14,22-23,25-26,41H,10-13,15-21H2,1-2H3,(H,34,36,37)
InChIKeyQEZTZUHHHCWRTC-UHFFFAOYSA-N
MW554.74 g/mol
LogP4.84
Rot. Bonds9

About 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol

2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol (PubChem CID 46916490) has the molecular formula C32H42N8O and a molecular weight of 554.74 g/mol. Its IUPAC name is 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
PubChem CID46916490
Molecular FormulaC32H42N8O
Molecular Weight554.74 g/mol
Exact Mass554.35
IUPAC Name2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12
InChIInChI=1S/C32H42N8O/c1-23(2)28-22-35-40-30(28)36-32(39-17-12-26(13-18-39)25-10-15-38(16-11-25)19-20-41)37-31(40)34-21-24-6-8-27(9-7-24)29-5-3-4-14-33-29/h3-9,14,22-23,25-26,41H,10-13,15-21H2,1-2H3,(H,34,36,37)
InChIKeyQEZTZUHHHCWRTC-UHFFFAOYSA-N
XLogP4.84
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.74
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol 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-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol (CID 46916490) is 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.
What is the InChIKey of 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol?
The InChIKey is QEZTZUHHHCWRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N8O/c1-23(2)28-22-35-40-30(28)36-32(39-17-12-26(13-18-39)25-10-15-38(16-11-25)19-20-41)37-31(40)34-21-24-6-8-27(9-7-24)29-5-3-4-14-33-29/h3-9,14,22-23,25-26,41H,10-13,15-21H2,1-2H3,(H,34,36,37).
What are the key properties of 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol?
2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol has a molecular weight of 554.74 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 46916490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).