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

C26H27N7O2S — CID 134539825

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnoc2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H27N7O2S/c1-4-32(5-2)17(3)13-27-26(34)18-11-22(19-14-29-35-16-19)30-23(12-18)20-15-28-33-9-8-21(31-25(20)33)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,34)/t17-/m0/s1
InChIKeyAFZCDVQFQZBDNU-KRWDZBQOSA-N
MW501.62 g/mol
LogP4.63
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539825) has the molecular formula C26H27N7O2S and a molecular weight of 501.62 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539825
Molecular FormulaC26H27N7O2S
Molecular Weight501.62 g/mol
Exact Mass501.19
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnoc2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H27N7O2S/c1-4-32(5-2)17(3)13-27-26(34)18-11-22(19-14-29-35-16-19)30-23(12-18)20-15-28-33-9-8-21(31-25(20)33)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,34)/t17-/m0/s1
InChIKeyAFZCDVQFQZBDNU-KRWDZBQOSA-N
XLogP4.63
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.62
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 229
CID 134539886
US10100058, Example 105
CID 134540034
US10100058, Example 315
CID 134540047
US10100058, Example 225
CID 134540086
US10100058, Example 228
CID 134540119
US10100058, Example 316
CID 134540172
US10100058, Example 1
CID 134539527
US10100058, Example 36
CID 134539804
US10100058, Example 232
CID 134539755
3,5-Dimethyl-4-[(3-methyl-2-thienyl)-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]isoxazole
CID 3011490

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539825) is N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-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-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnoc2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is AFZCDVQFQZBDNU-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H27N7O2S/c1-4-32(5-2)17(3)13-27-26(34)18-11-22(19-14-29-35-16-19)30-23(12-18)20-15-28-33-9-8-21(31-25(20)33)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,34)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 501.62 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(1,2-oxazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).