N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C25H31N7O3S2 — CID 134539928

IUPACN-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(NS(=O)(=O)CC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C25H31N7O3S2/c1-5-31(6-2)17(4)15-26-25(33)18-13-21(28-23(14-18)30-37(34,35)7-3)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-36-22/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,33)(H,28,30)
InChIKeyRZRPVOABHOMGFA-UHFFFAOYSA-N
MW541.70 g/mol
LogP3.74
Rot. Bonds11

About N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539928) has the molecular formula C25H31N7O3S2 and a molecular weight of 541.70 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539928
Molecular FormulaC25H31N7O3S2
Molecular Weight541.70 g/mol
Exact Mass541.19
IUPAC NameN-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(NS(=O)(=O)CC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C25H31N7O3S2/c1-5-31(6-2)17(4)15-26-25(33)18-13-21(28-23(14-18)30-37(34,35)7-3)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-36-22/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,33)(H,28,30)
InChIKeyRZRPVOABHOMGFA-UHFFFAOYSA-N
XLogP3.74
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.70
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(2S)-2-(diethylamino)propyl]-2-(methylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540119
N-[2-(diethylamino)propyl]-2-(ethylsulfanylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134574408
2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539713
N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539619
N-[(2S)-2-(diethylamino)propyl]-2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539764
N-[(2S)-2-(diethylamino)propyl]-2-[3-(ethylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539837
N-[(2S)-2-(diethylamino)propyl]-2-(2-methoxyethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539892
N-[(2S)-2-(diethylamino)propyl]-2-(1,3-oxazol-2-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539753
N-[(2S)-2-(diethylamino)propyl]-2-(3,3-difluoroazetidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539611
N-[(2S)-2-(diethylamino)propyl]-2-[(3-pyrrolidin-1-yloxetan-3-yl)methylamino]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539525
N-[2-(diethylamino)propyl]-2-oxo-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-1H-pyridine-4-carboxamide
CID 134574673
N-[(2S)-2-(diethylamino)propyl]-2-(4-hydroxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539487

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539928) is N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(NS(=O)(=O)CC)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is RZRPVOABHOMGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3S2/c1-5-31(6-2)17(4)15-26-25(33)18-13-21(28-23(14-18)30-37(34,35)7-3)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-36-22/h8-14,16-17H,5-7,15H2,1-4H3,(H,26,33)(H,28,30).
What are the key properties of N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 541.70 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-(ethylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).