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

C29H38N8O3S2 — CID 134539746

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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(NS(=O)(=O)C(C)C)C2)c1
InChIInChI=1S/C29H38N8O3S2/c1-6-35(7-2)20(5)15-30-29(38)21-13-25(32-27(14-21)36-17-22(18-36)34-42(39,40)19(3)4)23-16-31-37-11-10-24(33-28(23)37)26-9-8-12-41-26/h8-14,16,19-20,22,34H,6-7,15,17-18H2,1-5H3,(H,30,38)/t20-/m0/s1
InChIKeyNCUSXPINQIMJHD-FQEVSTJZSA-N
MW610.81 g/mol
LogP3.50
Rot. Bonds12

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

N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539746) has the molecular formula C29H38N8O3S2 and a molecular weight of 610.81 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539746
Molecular FormulaC29H38N8O3S2
Molecular Weight610.81 g/mol
Exact Mass610.25
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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(NS(=O)(=O)C(C)C)C2)c1
InChIInChI=1S/C29H38N8O3S2/c1-6-35(7-2)20(5)15-30-29(38)21-13-25(32-27(14-21)36-17-22(18-36)34-42(39,40)19(3)4)23-16-31-37-11-10-24(33-28(23)37)26-9-8-12-41-26/h8-14,16,19-20,22,34H,6-7,15,17-18H2,1-5H3,(H,30,38)/t20-/m0/s1
InChIKeyNCUSXPINQIMJHD-FQEVSTJZSA-N
XLogP3.50
TPSA124.83 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.81
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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

CID 134540190
CID 134540190
CID 59603842
CID 59603842
CID 68776463
CID 68776463
CID 134539487
CID 134539487
CID 134539513
CID 134539513
CID 134539764
CID 134539764
CID 134539877
CID 134539877
CID 134539886
CID 134539886
CID 134539903
CID 134539903
CID 134540034
CID 134540034
CID 134540047
CID 134540047
CID 134540086
CID 134540086

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539746) is N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)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-[3-(propan-2-ylsulfonylamino)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-[3-(propan-2-ylsulfonylamino)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(NS(=O)(=O)C(C)C)C2)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is NCUSXPINQIMJHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H38N8O3S2/c1-6-35(7-2)20(5)15-30-29(38)21-13-25(32-27(14-21)36-17-22(18-36)34-42(39,40)19(3)4)23-16-31-37-11-10-24(33-28(23)37)26-9-8-12-41-26/h8-14,16,19-20,22,34H,6-7,15,17-18H2,1-5H3,(H,30,38)/t20-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 610.81 g/mol, XLogP of 3.50, 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-[3-(propan-2-ylsulfonylamino)azetidin-1-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).