2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide

C30H35N7O2 — CID 44606820

IUPAC2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38)
InChIKeyWLZGENRVUAPESL-UHFFFAOYSA-N
MW525.66 g/mol
LogP3.46
Rot. Bonds7

About 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide

2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide (PubChem CID 44606820) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide
PubChem CID44606820
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1
InChIInChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38)
InChIKeyWLZGENRVUAPESL-UHFFFAOYSA-N
XLogP3.46
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide 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-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide (CID 44606820) is 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCN(Cc5ccccc5)CC4)c3n2)cc1.
What is the InChIKey of 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide?
The InChIKey is WLZGENRVUAPESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-31-27(38)19-22-7-9-24(10-8-22)28-33-29(36-15-17-39-18-16-36)26-20-32-37(30(26)34-28)25-11-13-35(14-12-25)21-23-5-3-2-4-6-23/h2-10,20,25H,11-19,21H2,1H3,(H,31,38).
What are the key properties of 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide?
2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide has a molecular weight of 525.66 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 44606820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).