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

C28H35N7O2S — CID 134539619

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

N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539619) has the molecular formula C28H35N7O2S and a molecular weight of 533.70 g/mol. Its IUPAC name is N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539619
• Molecular Formula: C28H35N7O2S
• Molecular Weight: 533.70 g/mol
• Exact Mass: 533.26
• IUPAC Name: N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)C(C)CNC(=O)c1cc(NC2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C28H35N7O2S/c1-4-34(5-2)19(3)17-29-28(36)20-15-24(32-26(16-20)31-21-9-12-37-13-10-21)22-18-30-35-11-8-23(33-27(22)35)25-7-6-14-38-25/h6-8,11,14-16,18-19,21H,4-5,9-10,12-13,17H2,1-3H3,(H,29,36)(H,31,32)
• InChIKey: LEJBGOAQRBKGMR-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.70
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539619) is N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-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-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)C(C)CNC(=O)c1cc(NC2CCOCC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

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

The InChIKey is LEJBGOAQRBKGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2S/c1-4-34(5-2)19(3)17-29-28(36)20-15-24(32-26(16-20)31-21-9-12-37-13-10-21)22-18-30-35-11-8-23(33-27(22)35)25-7-6-14-38-25/h6-8,11,14-16,18-19,21H,4-5,9-10,12-13,17H2,1-3H3,(H,29,36)(H,31,32).

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

N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 533.70 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)propyl]-2-(oxan-4-ylamino)-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).