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

C31H38N8O3S — CID 134539456

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-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(N2CC[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C31H38N8O3S/c1-4-36(5-2)21(3)19-32-30(40)22-17-25(23-20-33-39-11-8-24(35-29(23)39)27-7-6-16-43-27)34-28(18-22)38-10-9-26(38)31(41)37-12-14-42-15-13-37/h6-8,11,16-18,20-21,26H,4-5,9-10,12-15,19H2,1-3H3,(H,32,40)/t21-,26-/m0/s1
InChIKeyGENBDMMNGUPLGS-LVXARBLLSA-N
MW602.77 g/mol
LogP3.42
Rot. Bonds10

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

N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539456) has the molecular formula C31H38N8O3S and a molecular weight of 602.77 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-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-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539456
Molecular FormulaC31H38N8O3S
Molecular Weight602.77 g/mol
Exact Mass602.28
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-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(N2CC[C@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C31H38N8O3S/c1-4-36(5-2)21(3)19-32-30(40)22-17-25(23-20-33-39-11-8-24(35-29(23)39)27-7-6-16-43-27)34-28(18-22)38-10-9-26(38)31(41)37-12-14-42-15-13-37/h6-8,11,16-18,20-21,26H,4-5,9-10,12-15,19H2,1-3H3,(H,32,40)/t21-,26-/m0/s1
InChIKeyGENBDMMNGUPLGS-LVXARBLLSA-N
XLogP3.42
TPSA108.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-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-[(2S)-2-(morpholine-4-carbonyl)azetidin-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-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539456) is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-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-[(2S)-2-(morpholine-4-carbonyl)azetidin-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-[(2S)-2-(morpholine-4-carbonyl)azetidin-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(N2CC[C@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is GENBDMMNGUPLGS-LVXARBLLSA-N. The full InChI is InChI=1S/C31H38N8O3S/c1-4-36(5-2)21(3)19-32-30(40)22-17-25(23-20-33-39-11-8-24(35-29(23)39)27-7-6-16-43-27)34-28(18-22)38-10-9-26(38)31(41)37-12-14-42-15-13-37/h6-8,11,16-18,20-21,26H,4-5,9-10,12-15,19H2,1-3H3,(H,32,40)/t21-,26-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 602.77 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(morpholine-4-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).