N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

C28H33N5O2S — CID 24758874

About N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide

N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (PubChem CID 24758874) has the molecular formula C28H33N5O2S and a molecular weight of 503.67 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 24758874
• Molecular Formula: C28H33N5O2S
• Molecular Weight: 503.67 g/mol
• Exact Mass: 503.24
• IUPAC Name: N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
• SMILES: CC(C)CNC(=O)c1sccc1-c1cnn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc12
• InChI: InChI=1S/C28H33N5O2S/c1-20(2)16-30-28(34)26-24(10-15-36-26)25-18-31-33-19-22(17-29-27(25)33)21-6-8-23(9-7-21)35-14-13-32-11-4-3-5-12-32/h6-10,15,17-20H,3-5,11-14,16H2,1-2H3,(H,30,34)
• InChIKey: BVSZXEYHFJCZLJ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.67
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide (CID 24758874) is N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is CC(C)CNC(=O)c1sccc1-c1cnn2cc(-c3ccc(OCCN4CCCCC4)cc3)cnc12.

What is the InChIKey of N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

The InChIKey is BVSZXEYHFJCZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2S/c1-20(2)16-30-28(34)26-24(10-15-36-26)25-18-31-33-19-22(17-29-27(25)33)21-6-8-23(9-7-21)35-14-13-32-11-4-3-5-12-32/h6-10,15,17-20H,3-5,11-14,16H2,1-2H3,(H,30,34).

What are the key properties of N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide?

N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide has a molecular weight of 503.67 g/mol, XLogP of 5.38, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylpropyl)-3-[6-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24758874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).