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

C29H37N7O3S — CID 134539725

IUPACN-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(OCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H37N7O3S/c1-4-35(5-2)21(3)19-30-29(37)22-17-25(32-27(18-22)39-15-12-34-10-13-38-14-11-34)23-20-31-36-9-8-24(33-28(23)36)26-7-6-16-40-26/h6-9,16-18,20-21H,4-5,10-15,19H2,1-3H3,(H,30,37)
InChIKeyGHRMTOGKYUHKTK-UHFFFAOYSA-N
MW563.73 g/mol
LogP3.69
Rot. Bonds12

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

N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539725) has the molecular formula C29H37N7O3S and a molecular weight of 563.73 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID134539725
Molecular FormulaC29H37N7O3S
Molecular Weight563.73 g/mol
Exact Mass563.27
IUPAC NameN-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCN(CC)C(C)CNC(=O)c1cc(OCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
InChIInChI=1S/C29H37N7O3S/c1-4-35(5-2)21(3)19-30-29(37)22-17-25(32-27(18-22)39-15-12-34-10-13-38-14-11-34)23-20-31-36-9-8-24(33-28(23)36)26-7-6-16-40-26/h6-9,16-18,20-21H,4-5,10-15,19H2,1-3H3,(H,30,37)
InChIKeyGHRMTOGKYUHKTK-UHFFFAOYSA-N
XLogP3.69
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539725) is N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(OCCN2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.
What is the InChIKey of N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is GHRMTOGKYUHKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O3S/c1-4-35(5-2)21(3)19-30-29(37)22-17-25(32-27(18-22)39-15-12-34-10-13-38-14-11-34)23-20-31-36-9-8-24(33-28(23)36)26-7-6-16-40-26/h6-9,16-18,20-21H,4-5,10-15,19H2,1-3H3,(H,30,37).
What are the key properties of N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 563.73 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)propyl]-2-(2-morpholin-4-ylethoxy)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).