3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide

C31H37N5O2 — CID 74437257

About 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide

3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 74437257) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
• PubChem CID: 74437257
• Molecular Formula: C31H37N5O2
• Molecular Weight: 511.67 g/mol
• Exact Mass: 511.29
• IUPAC Name: 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide
• SMILES: CCN1CCCC1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NCCN5CCCC5)cc34)ccc2c1
• InChI: InChI=1S/C31H37N5O2/c1-2-36-16-5-6-26(36)21-38-27-11-9-22-18-24(8-7-23(22)19-27)30-28-20-25(10-12-29(28)33-34-30)31(37)32-13-17-35-14-3-4-15-35/h7-12,18-20,26H,2-6,13-17,21H2,1H3,(H,32,37)(H,33,34)
• InChIKey: GJEPLFZANHARBX-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 73.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.67
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide?

The IUPAC name of 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide (CID 74437257) is 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide.

What is the SMILES notation for 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide?

The canonical SMILES for 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide is CCN1CCCC1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NCCN5CCCC5)cc34)ccc2c1.

What is the InChIKey of 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide?

The InChIKey is GJEPLFZANHARBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-2-36-16-5-6-26(36)21-38-27-11-9-22-18-24(8-7-23(22)19-27)30-28-20-25(10-12-29(28)33-34-30)31(37)32-13-17-35-14-3-4-15-35/h7-12,18-20,26H,2-6,13-17,21H2,1H3,(H,32,37)(H,33,34).

What are the key properties of 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide?

3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 5.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[(1-ethylpyrrolidin-2-yl)methoxy]naphthalen-2-yl]-N-(2-pyrrolidin-1-ylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 74437257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).