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

C28H34N6O3S — CID 134539443

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

N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134539443) has the molecular formula C28H34N6O3S and a molecular weight of 534.69 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134539443
• Molecular Formula: C28H34N6O3S
• Molecular Weight: 534.69 g/mol
• Exact Mass: 534.24
• IUPAC Name: N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(OCC2(C)COC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1
• InChI: InChI=1S/C28H34N6O3S/c1-5-33(6-2)19(3)14-29-27(35)20-12-23(31-25(13-20)37-18-28(4)16-36-17-28)21-15-30-34-10-9-22(32-26(21)34)24-8-7-11-38-24/h7-13,15,19H,5-6,14,16-18H2,1-4H3,(H,29,35)/t19-/m0/s1
• InChIKey: FKCZIEKTPAOFMA-IBGZPJMESA-N
• XLogP: 4.40
• TPSA: 93.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.69
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-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-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134539443) is N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-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-methyloxetan-3-yl)methoxy]-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-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(OCC2(C)COC2)nc(-c2cnn3ccc(-c4cccs4)nc23)c1.

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

The InChIKey is FKCZIEKTPAOFMA-IBGZPJMESA-N. The full InChI is InChI=1S/C28H34N6O3S/c1-5-33(6-2)19(3)14-29-27(35)20-12-23(31-25(13-20)37-18-28(4)16-36-17-28)21-15-30-34-10-9-22(32-26(21)34)24-8-7-11-38-24/h7-13,15,19H,5-6,14,16-18H2,1-4H3,(H,29,35)/t19-/m0/s1.

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

N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 534.69 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(diethylamino)propyl]-2-[(3-methyloxetan-3-yl)methoxy]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134539443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).