3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

C32H25N5OS — CID 145246659

About 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine

3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 145246659) has the molecular formula C32H25N5OS and a molecular weight of 527.65 g/mol. Its IUPAC name is 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• PubChem CID: 145246659
• Molecular Formula: C32H25N5OS
• Molecular Weight: 527.65 g/mol
• Exact Mass: 527.18
• IUPAC Name: 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
• SMILES: Cc1ccc(-c2ccc(C)c3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1
• InChI: InChI=1S/C32H25N5OS/c1-19-8-10-24(30-11-9-20(2)39-30)25-13-28(35-31(19)25)32-26-14-27(34-17-29(26)36-37-32)22-12-23(16-33-15-22)38-18-21-6-4-3-5-7-21/h3-17,35H,18H2,1-2H3,(H,36,37)
• InChIKey: ZMEHGNUKTMIFIK-UHFFFAOYSA-N
• XLogP: 8.09
• TPSA: 79.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.65
LogP ≤ 5	8.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The IUPAC name of 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 145246659) is 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

What is the SMILES notation for 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The canonical SMILES for 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is Cc1ccc(-c2ccc(C)c3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCc7ccccc7)c6)cc45)cc23)s1.

What is the InChIKey of 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

The InChIKey is ZMEHGNUKTMIFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N5OS/c1-19-8-10-24(30-11-9-20(2)39-30)25-13-28(35-31(19)25)32-26-14-27(34-17-29(26)36-37-32)22-12-23(16-33-15-22)38-18-21-6-4-3-5-7-21/h3-17,35H,18H2,1-2H3,(H,36,37).

What are the key properties of 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?

3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 527.65 g/mol, XLogP of 8.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-methyl-4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 145246659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).