2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C29H35N7OS — CID 134540220

About 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 134540220) has the molecular formula C29H35N7OS and a molecular weight of 529.71 g/mol. Its IUPAC name is 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• PubChem CID: 134540220
• Molecular Formula: C29H35N7OS
• Molecular Weight: 529.71 g/mol
• Exact Mass: 529.26
• IUPAC Name: 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
• SMILES: CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC23CCC3)c1
• InChI: InChI=1S/C29H35N7OS/c1-4-34(5-2)20(3)18-30-28(37)21-16-24(32-26(17-21)35-14-12-29(35)10-7-11-29)22-19-31-36-13-9-23(33-27(22)36)25-8-6-15-38-25/h6,8-9,13,15-17,19-20H,4-5,7,10-12,14,18H2,1-3H3,(H,30,37)/t20-/m0/s1
• InChIKey: USWGMYGXEDDPJU-FQEVSTJZSA-N
• XLogP: 5.11
• TPSA: 78.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.71
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The IUPAC name of 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 134540220) is 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

What is the SMILES notation for 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The canonical SMILES for 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCN(CC)[C@@H](C)CNC(=O)c1cc(-c2cnn3ccc(-c4cccs4)nc23)nc(N2CCC23CCC3)c1.

What is the InChIKey of 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

The InChIKey is USWGMYGXEDDPJU-FQEVSTJZSA-N. The full InChI is InChI=1S/C29H35N7OS/c1-4-34(5-2)20(3)18-30-28(37)21-16-24(32-26(17-21)35-14-12-29(35)10-7-11-29)22-19-31-36-13-9-23(33-27(22)36)25-8-6-15-38-25/h6,8-9,13,15-17,19-20H,4-5,7,10-12,14,18H2,1-3H3,(H,30,37)/t20-/m0/s1.

What are the key properties of 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?

2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 529.71 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-azaspiro[3.3]heptan-1-yl)-N-[(2S)-2-(diethylamino)propyl]-6-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134540220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).