N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide

C30H36N4O2 — CID 25256908

About N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide

N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide (PubChem CID 25256908) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
• PubChem CID: 25256908
• Molecular Formula: C30H36N4O2
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.28
• IUPAC Name: N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide
• SMILES: CCN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NCC(C)(C)C)cc34)ccc2c1
• InChI: InChI=1S/C30H36N4O2/c1-5-34-14-6-7-24(34)18-36-25-12-10-20-15-22(9-8-21(20)16-25)28-26-17-23(11-13-27(26)32-33-28)29(35)31-19-30(2,3)4/h8-13,15-17,24H,5-7,14,18-19H2,1-4H3,(H,31,35)(H,32,33)/t24-/m0/s1
• InChIKey: QTIVRHQWQLPZDB-DEOSSOPVSA-N
• XLogP: 6.02
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide (CID 25256908) is N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide.

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

The canonical SMILES for N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide is CCN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(C(=O)NCC(C)(C)C)cc34)ccc2c1.

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

The InChIKey is QTIVRHQWQLPZDB-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H36N4O2/c1-5-34-14-6-7-24(34)18-36-25-12-10-20-15-22(9-8-21(20)16-25)28-26-17-23(11-13-27(26)32-33-28)29(35)31-19-30(2,3)4/h8-13,15-17,24H,5-7,14,18-19H2,1-4H3,(H,31,35)(H,32,33)/t24-/m0/s1.

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

N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-dimethylpropyl)-3-[6-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]naphthalen-2-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 25256908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).