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

C29H38N8O2S — CID 134539602

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H38N8O2S/c1-4-36(5-2)21(3)19-31-29(38)22-17-25(33-27(18-22)30-9-11-35-12-14-39-15-13-35)23-20-32-37-10-8-24(34-28(23)37)26-7-6-16-40-26/h6-8,10,16-18,20-21H,4-5,9,11-15,19H2,1-3H3,(H,30,33)(H,31,38)/t21-/m0/s1
InChIKeyREMDFKWHZGXXBB-NRFANRHFSA-N
MW562.74 g/mol
LogP3.72
Rot. Bonds12

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

N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539602) has the molecular formula C29H38N8O2S and a molecular weight of 562.74 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539602
Molecular FormulaC29H38N8O2S
Molecular Weight562.74 g/mol
Exact Mass562.28
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H38N8O2S/c1-4-36(5-2)21(3)19-31-29(38)22-17-25(33-27(18-22)30-9-11-35-12-14-39-15-13-35)23-20-32-37-10-8-24(34-28(23)37)26-7-6-16-40-26/h6-8,10,16-18,20-21H,4-5,9,11-15,19H2,1-3H3,(H,30,33)(H,31,38)/t21-/m0/s1
InChIKeyREMDFKWHZGXXBB-NRFANRHFSA-N
XLogP3.72
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.74
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539602) is N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-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-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(NCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is REMDFKWHZGXXBB-NRFANRHFSA-N. The full InChI is InChI=1S/C29H38N8O2S/c1-4-36(5-2)21(3)19-31-29(38)22-17-25(33-27(18-22)30-9-11-35-12-14-39-15-13-35)23-20-32-37-10-8-24(34-28(23)37)26-7-6-16-40-26/h6-8,10,16-18,20-21H,4-5,9,11-15,19H2,1-3H3,(H,30,33)(H,31,38)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 562.74 g/mol, XLogP of 3.72, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-(2-morpholin-4-ylethylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).