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

C25H31N7OS — CID 134539513

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N(C)C)c1
InChIInChI=1S/C25H31N7OS/c1-6-31(7-2)17(3)15-26-25(33)18-13-21(28-23(14-18)30(4)5)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-34-22/h8-14,16-17H,6-7,15H2,1-5H3,(H,26,33)/t17-/m0/s1
InChIKeyARXMXGHDXSLZIO-KRWDZBQOSA-N
MW477.64 g/mol
LogP4.05
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539513) has the molecular formula C25H31N7OS and a molecular weight of 477.64 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539513
Molecular FormulaC25H31N7OS
Molecular Weight477.64 g/mol
Exact Mass477.23
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N(C)C)c1
InChIInChI=1S/C25H31N7OS/c1-6-31(7-2)17(3)15-26-25(33)18-13-21(28-23(14-18)30(4)5)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-34-22/h8-14,16-17H,6-7,15H2,1-5H3,(H,26,33)/t17-/m0/s1
InChIKeyARXMXGHDXSLZIO-KRWDZBQOSA-N
XLogP4.05
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539513) is N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-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-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N(C)C)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is ARXMXGHDXSLZIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H31N7OS/c1-6-31(7-2)17(3)15-26-25(33)18-13-21(28-23(14-18)30(4)5)19-16-27-32-11-10-20(29-24(19)32)22-9-8-12-34-22/h8-14,16-17H,6-7,15H2,1-5H3,(H,26,33)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 477.64 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(dimethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).