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

C26H28N8OS — CID 134539614

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cn[nH]c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H28N8OS/c1-4-33(5-2)17(3)13-27-26(35)18-11-22(19-14-28-29-15-19)31-23(12-18)20-16-30-34-9-8-21(32-25(20)34)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,35)(H,28,29)/t17-/m0/s1
InChIKeyZITXVHJACZPFOS-KRWDZBQOSA-N
MW500.63 g/mol
LogP4.37
Rot. Bonds9

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

N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539614) has the molecular formula C26H28N8OS and a molecular weight of 500.63 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-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-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539614
Molecular FormulaC26H28N8OS
Molecular Weight500.63 g/mol
Exact Mass500.21
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cn[nH]c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C26H28N8OS/c1-4-33(5-2)17(3)13-27-26(35)18-11-22(19-14-28-29-15-19)31-23(12-18)20-16-30-34-9-8-21(32-25(20)34)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,35)(H,28,29)/t17-/m0/s1
InChIKeyZITXVHJACZPFOS-KRWDZBQOSA-N
XLogP4.37
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.63
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-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-(1H-pyrazol-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-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539614) is N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-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-(1H-pyrazol-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-(1H-pyrazol-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(-c2cn[nH]c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is ZITXVHJACZPFOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H28N8OS/c1-4-33(5-2)17(3)13-27-26(35)18-11-22(19-14-28-29-15-19)31-23(12-18)20-16-30-34-9-8-21(32-25(20)34)24-7-6-10-36-24/h6-12,14-17H,4-5,13H2,1-3H3,(H,27,35)(H,28,29)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 500.63 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(1H-pyrazol-4-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).