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

C29H32N8O2S — CID 134539515

IUPACN-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn(C3COC3)c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H32N8O2S/c1-4-35(5-2)19(3)13-30-29(38)20-11-25(21-14-31-37(16-21)22-17-39-18-22)33-26(12-20)23-15-32-36-9-8-24(34-28(23)36)27-7-6-10-40-27/h6-12,14-16,19,22H,4-5,13,17-18H2,1-3H3,(H,30,38)/t19-/m0/s1
InChIKeyOPOIOYKJEPCYMY-IBGZPJMESA-N
MW556.70 g/mol
LogP4.41
Rot. Bonds10

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

N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539515) has the molecular formula C29H32N8O2S and a molecular weight of 556.70 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539515
Molecular FormulaC29H32N8O2S
Molecular Weight556.70 g/mol
Exact Mass556.24
IUPAC NameN-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn(C3COC3)c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H32N8O2S/c1-4-35(5-2)19(3)13-30-29(38)20-11-25(21-14-31-37(16-21)22-17-39-18-22)33-26(12-20)23-15-32-36-9-8-24(34-28(23)36)27-7-6-10-40-27/h6-12,14-16,19,22H,4-5,13,17-18H2,1-3H3,(H,30,38)/t19-/m0/s1
InChIKeyOPOIOYKJEPCYMY-IBGZPJMESA-N
XLogP4.41
TPSA102.47 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.70
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-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-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539515) is N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-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-[1-(oxetan-3-yl)pyrazol-4-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-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn(C3COC3)c2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is OPOIOYKJEPCYMY-IBGZPJMESA-N. The full InChI is InChI=1S/C29H32N8O2S/c1-4-35(5-2)19(3)13-30-29(38)20-11-25(21-14-31-37(16-21)22-17-39-18-22)33-26(12-20)23-15-32-36-9-8-24(34-28(23)36)27-7-6-10-40-27/h6-12,14-16,19,22H,4-5,13,17-18H2,1-3H3,(H,30,38)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[(2S)-2-(diethylamino)propyl]-2-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 556.70 g/mol, XLogP of 4.41, 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-[1-(oxetan-3-yl)pyrazol-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).