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

C32H40N8O4S2 — CID 134558490

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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)C2CC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C32H40N8O4S2/c1-5-38(6-2)20(3)18-33-32(42)22-16-26(24-19-34-40-12-9-25(36-31(24)40)28-8-7-13-45-28)35-29(17-22)39-11-10-27(39)30(41)21-14-23(15-21)37-46(4,43)44/h7-9,12-13,16-17,19-21,23,27,37H,5-6,10-11,14-15,18H2,1-4H3,(H,33,42)/t20-,21?,23?,27-/m0/s1
InChIKeySOGKEPGWOWTAJQ-FKYXPWRRSA-N
MW664.86 g/mol
LogP3.46
Rot. Bonds13

About N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134558490) has the molecular formula C32H40N8O4S2 and a molecular weight of 664.86 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134558490
Molecular FormulaC32H40N8O4S2
Molecular Weight664.86 g/mol
Exact Mass664.26
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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)C2CC(NS(C)(=O)=O)C2)c1
InChIInChI=1S/C32H40N8O4S2/c1-5-38(6-2)20(3)18-33-32(42)22-16-26(24-19-34-40-12-9-25(36-31(24)40)28-8-7-13-45-28)35-29(17-22)39-11-10-27(39)30(41)21-14-23(15-21)37-46(4,43)44/h7-9,12-13,16-17,19-21,23,27,37H,5-6,10-11,14-15,18H2,1-4H3,(H,33,42)/t20-,21?,23?,27-/m0/s1
InChIKeySOGKEPGWOWTAJQ-FKYXPWRRSA-N
XLogP3.46
TPSA141.90 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.86
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-[(2S)-2-(cyclopropylcarbamoyl)azetidin-1-yl]-N-[2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539957
N-[2-(diethylamino)propyl]-2-[2-[hydroxy(methyl)carbamoyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539685
N-[2-(diethylamino)propyl]-2-[(2S)-2-(2-methoxyethylcarbamoyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539973
N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(3-methoxyazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539711
N-[2-(diethylamino)propyl]-2-[(2S)-2-(3-methoxyazetidine-1-carbonyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539714
N-[2-(diethylamino)propyl]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539842
N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-[(2-methyl-1,3,2-dioxathietan-2-yl)amino]azetidine-1-carbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 142366094
N-[(2S)-2-(diethylamino)propyl]-2-(4-hydroxypiperidin-1-yl)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539487
2-[3-(cyclopropylsulfamoyl)azetidin-1-yl]-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539541
N-[(2S)-2-(diethylamino)propyl]-2-[3-(ethylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134539837
N-[(2S)-2-(diethylamino)propyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540172
N-(2-methylbutyl)-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
CID 134540132

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134558490) is N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]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)C2CC(NS(C)(=O)=O)C2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is SOGKEPGWOWTAJQ-FKYXPWRRSA-N. The full InChI is InChI=1S/C32H40N8O4S2/c1-5-38(6-2)20(3)18-33-32(42)22-16-26(24-19-34-40-12-9-25(36-31(24)40)28-8-7-13-45-28)35-29(17-22)39-11-10-27(39)30(41)21-14-23(15-21)37-46(4,43)44/h7-9,12-13,16-17,19-21,23,27,37H,5-6,10-11,14-15,18H2,1-4H3,(H,33,42)/t20-,21?,23?,27-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]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-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 664.86 g/mol, XLogP of 3.46, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-[3-(methanesulfonamido)cyclobutanecarbonyl]azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134558490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).