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

C32H40N8O2S — CID 134539637

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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)N2CC(C)(C)C2)c1
InChIInChI=1S/C32H40N8O2S/c1-6-37(7-2)21(3)17-33-30(41)22-15-25(23-18-34-40-13-10-24(36-29(23)40)27-9-8-14-43-27)35-28(16-22)39-12-11-26(39)31(42)38-19-32(4,5)20-38/h8-10,13-16,18,21,26H,6-7,11-12,17,19-20H2,1-5H3,(H,33,41)/t21-,26-/m0/s1
InChIKeyHNGOJYOENGPJEQ-LVXARBLLSA-N
MW600.79 g/mol
LogP4.43
Rot. Bonds10

About N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539637) has the molecular formula C32H40N8O2S and a molecular weight of 600.79 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539637
Molecular FormulaC32H40N8O2S
Molecular Weight600.79 g/mol
Exact Mass600.30
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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)N2CC(C)(C)C2)c1
InChIInChI=1S/C32H40N8O2S/c1-6-37(7-2)21(3)17-33-30(41)22-15-25(23-18-34-40-13-10-24(36-29(23)40)27-9-8-14-43-27)35-28(16-22)39-12-11-26(39)31(42)38-19-32(4,5)20-38/h8-10,13-16,18,21,26H,6-7,11-12,17,19-20H2,1-5H3,(H,33,41)/t21-,26-/m0/s1
InChIKeyHNGOJYOENGPJEQ-LVXARBLLSA-N
XLogP4.43
TPSA98.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539637) is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-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)N2CC(C)(C)C2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is HNGOJYOENGPJEQ-LVXARBLLSA-N. The full InChI is InChI=1S/C32H40N8O2S/c1-6-37(7-2)21(3)17-33-30(41)22-15-25(23-18-34-40-13-10-24(36-29(23)40)27-9-8-14-43-27)35-28(16-22)39-12-11-26(39)31(42)38-19-32(4,5)20-38/h8-10,13-16,18,21,26H,6-7,11-12,17,19-20H2,1-5H3,(H,33,41)/t21-,26-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3,3-dimethylazetidine-1-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-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 600.79 g/mol, XLogP of 4.43, 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-[(2S)-2-(3,3-dimethylazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).