7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine

C29H29N3O — CID 171741895

About 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine

7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine (PubChem CID 171741895) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
• PubChem CID: 171741895
• Molecular Formula: C29H29N3O
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.23
• IUPAC Name: 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine
• SMILES: CC(C)Cc1coc2c(-c3cc(-c4cc(C(C)(C)C)c5ccccc5c4)ncn3)cncc12
• InChI: InChI=1S/C29H29N3O/c1-18(2)10-21-16-33-28-23(21)14-30-15-24(28)27-13-26(31-17-32-27)20-11-19-8-6-7-9-22(19)25(12-20)29(3,4)5/h6-9,11-18H,10H2,1-5H3
• InChIKey: STIPMJUVWNPYNB-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine?

The IUPAC name of 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine (CID 171741895) is 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine.

What is the SMILES notation for 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine?

The canonical SMILES for 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine is CC(C)Cc1coc2c(-c3cc(-c4cc(C(C)(C)C)c5ccccc5c4)ncn3)cncc12.

What is the InChIKey of 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine?

The InChIKey is STIPMJUVWNPYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-18(2)10-21-16-33-28-23(21)14-30-15-24(28)27-13-26(31-17-32-27)20-11-19-8-6-7-9-22(19)25(12-20)29(3,4)5/h6-9,11-18H,10H2,1-5H3.

What are the key properties of 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine?

7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine has a molecular weight of 435.57 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6-(4-tert-butylnaphthalen-2-yl)pyrimidin-4-yl]-3-(2-methylpropyl)furo[3,2-c]pyridine is sourced from PubChem (CID 171741895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).