2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol

C27H33N7O — CID 127034423

IUPAC2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCCC3CCO)nc12
InChIInChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyJESHQJYUKOEMIP-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.89
Rot. Bonds8

About 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol

2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol (PubChem CID 127034423) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol
PubChem CID127034423
Molecular FormulaC27H33N7O
Molecular Weight471.61 g/mol
Exact Mass471.27
IUPAC Name2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol
SMILESCC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCCC3CCO)nc12
InChIInChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31)
InChIKeyJESHQJYUKOEMIP-UHFFFAOYSA-N
XLogP4.89
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-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-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol (CID 127034423) is 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol is CC(C)c1[nH]nc2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCCC3CCO)nc12.
What is the InChIKey of 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol?
The InChIKey is JESHQJYUKOEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-18(2)23-24-25(33-32-23)26(31-27(30-24)34-15-6-4-7-21(34)13-16-35)29-17-19-9-11-20(12-10-19)22-8-3-5-14-28-22/h3,5,8-12,14,18,21,35H,4,6-7,13,15-17H2,1-2H3,(H,32,33)(H,29,30,31).
What are the key properties of 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol?
2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol has a molecular weight of 471.61 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-propan-2-yl-7-[(4-pyridin-2-ylphenyl)methylamino]-2H-pyrazolo[4,3-d]pyrimidin-5-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 127034423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).