2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide

C26H31N7O2 — CID 135992170

About 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide (PubChem CID 135992170) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide
• PubChem CID: 135992170
• Molecular Formula: C26H31N7O2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.25
• IUPAC Name: 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NC5(CO)CCCC5)[nH]4)c3c2)c1C
• InChI: InChI=1S/C26H31N7O2/c1-3-27-11-18-12-28-13-20(16(18)2)17-6-7-21-19(10-17)23(33-32-21)24-29-14-22(30-24)25(35)31-26(15-34)8-4-5-9-26/h6-7,10,12-14,27,34H,3-5,8-9,11,15H2,1-2H3,(H,29,30)(H,31,35)(H,32,33)
• InChIKey: PIQZWCZXSUYLMD-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 131.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide?

The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide (CID 135992170) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide.

What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide?

The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NC5(CO)CCCC5)[nH]4)c3c2)c1C.

What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide?

The InChIKey is PIQZWCZXSUYLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-3-27-11-18-12-28-13-20(16(18)2)17-6-7-21-19(10-17)23(33-32-21)24-29-14-22(30-24)25(35)31-26(15-34)8-4-5-9-26/h6-7,10,12-14,27,34H,3-5,8-9,11,15H2,1-2H3,(H,29,30)(H,31,35)(H,32,33).

What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide?

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.47, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135992170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).