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

C29H37N7O2S — CID 134539429

IUPACN-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-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(N2CCC(OC)CC2)c1
InChIInChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)18-30-29(37)21-16-25(32-27(17-21)35-12-9-22(38-4)10-13-35)23-19-31-36-14-11-24(33-28(23)36)26-8-7-15-39-26/h7-8,11,14-17,19-20,22H,5-6,9-10,12-13,18H2,1-4H3,(H,30,37)/t20-/m0/s1
InChIKeyXHTMIOHFOAWKLT-FQEVSTJZSA-N
MW547.73 g/mol
LogP4.60
Rot. Bonds10

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

N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539429) has the molecular formula C29H37N7O2S and a molecular weight of 547.73 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539429
Molecular FormulaC29H37N7O2S
Molecular Weight547.73 g/mol
Exact Mass547.27
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-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(N2CCC(OC)CC2)c1
InChIInChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)18-30-29(37)21-16-25(32-27(17-21)35-12-9-22(38-4)10-13-35)23-19-31-36-14-11-24(33-28(23)36)26-8-7-15-39-26/h7-8,11,14-17,19-20,22H,5-6,9-10,12-13,18H2,1-4H3,(H,30,37)/t20-/m0/s1
InChIKeyXHTMIOHFOAWKLT-FQEVSTJZSA-N
XLogP4.60
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.73
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-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-(4-methoxypiperidin-1-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-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539429) is N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-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-(4-methoxypiperidin-1-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-(4-methoxypiperidin-1-yl)-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(N2CCC(OC)CC2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is XHTMIOHFOAWKLT-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H37N7O2S/c1-5-34(6-2)20(3)18-30-29(37)21-16-25(32-27(17-21)35-12-9-22(38-4)10-13-35)23-19-31-36-14-11-24(33-28(23)36)26-8-7-15-39-26/h7-8,11,14-17,19-20,22H,5-6,9-10,12-13,18H2,1-4H3,(H,30,37)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 547.73 g/mol, XLogP of 4.60, 10 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-(4-methoxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).