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

C26H33N7O3S2 — CID 134539465

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C(C)C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H33N7O3S2/c1-6-32(7-2)18(5)15-27-26(34)19-13-22(29-24(14-19)31-38(35,36)17(3)4)20-16-28-33-11-10-21(30-25(20)33)23-9-8-12-37-23/h8-14,16-18H,6-7,15H2,1-5H3,(H,27,34)(H,29,31)/t18-/m0/s1
InChIKeyKHMBCONNSZBVGI-SFHVURJKSA-N
MW555.73 g/mol
LogP4.13
Rot. Bonds11

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

N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539465) has the molecular formula C26H33N7O3S2 and a molecular weight of 555.73 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539465
Molecular FormulaC26H33N7O3S2
Molecular Weight555.73 g/mol
Exact Mass555.21
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C(C)C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H33N7O3S2/c1-6-32(7-2)18(5)15-27-26(34)19-13-22(29-24(14-19)31-38(35,36)17(3)4)20-16-28-33-11-10-21(30-25(20)33)23-9-8-12-37-23/h8-14,16-18H,6-7,15H2,1-5H3,(H,27,34)(H,29,31)/t18-/m0/s1
InChIKeyKHMBCONNSZBVGI-SFHVURJKSA-N
XLogP4.13
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.73
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539465) is N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(NS(=O)(=O)C(C)C)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is KHMBCONNSZBVGI-SFHVURJKSA-N. The full InChI is InChI=1S/C26H33N7O3S2/c1-6-32(7-2)18(5)15-27-26(34)19-13-22(29-24(14-19)31-38(35,36)17(3)4)20-16-28-33-11-10-21(30-25(20)33)23-9-8-12-37-23/h8-14,16-18H,6-7,15H2,1-5H3,(H,27,34)(H,29,31)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 555.73 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(propan-2-ylsulfonylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).