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

C28H35N7O3S — CID 134539965

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

N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539965) has the molecular formula C28H35N7O3S and a molecular weight of 549.70 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539965
• Molecular Formula: C28H35N7O3S
• Molecular Weight: 549.70 g/mol
• Exact Mass: 549.25
• IUPAC Name: N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCOC(CO)C2)c1
• InChI: InChI=1S/C28H35N7O3S/c1-4-33(5-2)19(3)15-29-28(37)20-13-24(31-26(14-20)34-10-11-38-21(17-34)18-36)22-16-30-35-9-8-23(32-27(22)35)25-7-6-12-39-25/h6-9,12-14,16,19,21,36H,4-5,10-11,15,17-18H2,1-3H3,(H,29,37)
• InChIKey: GUDHSDKPCBCIJX-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 108.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.70
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The IUPAC name of N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539965) is N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-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-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCOC(CO)C2)c1.

What is the InChIKey of N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The InChIKey is GUDHSDKPCBCIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3S/c1-4-33(5-2)19(3)15-29-28(37)20-13-24(31-26(14-20)34-10-11-38-21(17-34)18-36)22-16-30-35-9-8-23(32-27(22)35)25-7-6-12-39-25/h6-9,12-14,16,19,21,36H,4-5,10-11,15,17-18H2,1-3H3,(H,29,37).

What are the key properties of N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 549.70 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-[2-(hydroxymethyl)morpholin-4-yl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).