1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide

C23H30N6O — CID 661165

IUPAC1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1
InChIInChI=1S/C23H30N6O/c1-5-27(6-2)23(30)18-9-11-28(12-10-18)21-19-14-26-29(22(19)25-15-24-21)20-8-7-16(3)13-17(20)4/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyNYSOFBDAYABUHG-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.52
Rot. Bonds5

About 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide

1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 661165) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID661165
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1
InChIInChI=1S/C23H30N6O/c1-5-27(6-2)23(30)18-9-11-28(12-10-18)21-19-14-26-29(22(19)25-15-24-21)20-8-7-16(3)13-17(20)4/h7-8,13-15,18H,5-6,9-12H2,1-4H3
InChIKeyNYSOFBDAYABUHG-UHFFFAOYSA-N
XLogP3.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide (CID 661165) is 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is NYSOFBDAYABUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-5-27(6-2)23(30)18-9-11-28(12-10-18)21-19-14-26-29(22(19)25-15-24-21)20-8-7-16(3)13-17(20)4/h7-8,13-15,18H,5-6,9-12H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide?
1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 661165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).