5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine

C24H33N5OS — CID 162785056

About 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine

5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine (PubChem CID 162785056) has the molecular formula C24H33N5OS and a molecular weight of 439.63 g/mol. Its IUPAC name is 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine.

Molecular Properties

• Compound Name: 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
• PubChem CID: 162785056
• Molecular Formula: C24H33N5OS
• Molecular Weight: 439.63 g/mol
• Exact Mass: 439.24
• IUPAC Name: 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine
• SMILES: CC(C)(C)Nc1cc(NCC2CCC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1
• InChI: InChI=1S/C24H33N5OS/c1-24(2,3)28-21-14-17(25-15-16-7-6-8-16)23-18(27-21)13-20(31-23)19-10-11-26-29(19)22-9-4-5-12-30-22/h10-11,13-14,16,22H,4-9,12,15H2,1-3H3,(H2,25,27,28)
• InChIKey: YBFYHDAFHNDJQZ-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 64.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.63
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine?

The IUPAC name of 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine (CID 162785056) is 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine.

What is the SMILES notation for 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine?

The canonical SMILES for 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine is CC(C)(C)Nc1cc(NCC2CCC2)c2sc(-c3ccnn3C3CCCCO3)cc2n1.

What is the InChIKey of 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine?

The InChIKey is YBFYHDAFHNDJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5OS/c1-24(2,3)28-21-14-17(25-15-16-7-6-8-16)23-18(27-21)13-20(31-23)19-10-11-26-29(19)22-9-4-5-12-30-22/h10-11,13-14,16,22H,4-9,12,15H2,1-3H3,(H2,25,27,28).

What are the key properties of 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine?

5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine has a molecular weight of 439.63 g/mol, XLogP of 6.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N-tert-butyl-7-N-(cyclobutylmethyl)-2-[2-(oxan-2-yl)pyrazol-3-yl]thieno[3,2-b]pyridine-5,7-diamine is sourced from PubChem (CID 162785056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).