5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide

C26H29N5O3 — CID 67247491

About 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide

5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 67247491) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
• PubChem CID: 67247491
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
• SMILES: COc1ccc2[nH]nc(C(=O)N(C)[C@H](CCNC(=O)c3cccn3C)Cc3ccccc3)c2c1
• InChI: InChI=1S/C26H29N5O3/c1-30-15-7-10-23(30)25(32)27-14-13-19(16-18-8-5-4-6-9-18)31(2)26(33)24-21-17-20(34-3)11-12-22(21)28-29-24/h4-12,15,17,19H,13-14,16H2,1-3H3,(H,27,32)(H,28,29)/t19-/m1/s1
• InChIKey: CZBLNMIPRNZASH-LJQANCHMSA-N
• XLogP: 3.41
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide (CID 67247491) is 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)N(C)[C@H](CCNC(=O)c3cccn3C)Cc3ccccc3)c2c1.

What is the InChIKey of 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?

The InChIKey is CZBLNMIPRNZASH-LJQANCHMSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-30-15-7-10-23(30)25(32)27-14-13-19(16-18-8-5-4-6-9-18)31(2)26(33)24-21-17-20(34-3)11-12-22(21)28-29-24/h4-12,15,17,19H,13-14,16H2,1-3H3,(H,27,32)(H,28,29)/t19-/m1/s1.

What are the key properties of 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide?

5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67247491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).