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

C26H32N8O — CID 135537710

IUPAC2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)C5CCN(C)C5)[nH]4)c3c2)c1C
InChIInChI=1S/C26H32N8O/c1-5-27-11-18-12-28-13-21(16(18)2)17-6-7-22-20(10-17)24(32-31-22)25-29-14-23(30-25)26(35)34(4)19-8-9-33(3)15-19/h6-7,10,12-14,19,27H,5,8-9,11,15H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyWRTIZKFKLLEQBF-UHFFFAOYSA-N
MW472.60 g/mol
LogP3.21
Rot. Bonds7

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

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide (PubChem CID 135537710) has the molecular formula C26H32N8O and a molecular weight of 472.60 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide
PubChem CID135537710
Molecular FormulaC26H32N8O
Molecular Weight472.60 g/mol
Exact Mass472.27
IUPAC Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)C5CCN(C)C5)[nH]4)c3c2)c1C
InChIInChI=1S/C26H32N8O/c1-5-27-11-18-12-28-13-21(16(18)2)17-6-7-22-20(10-17)24(32-31-22)25-29-14-23(30-25)26(35)34(4)19-8-9-33(3)15-19/h6-7,10,12-14,19,27H,5,8-9,11,15H2,1-4H3,(H,29,30)(H,31,32)
InChIKeyWRTIZKFKLLEQBF-UHFFFAOYSA-N
XLogP3.21
TPSA105.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.60
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 135992311
N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 135992290
1-[4-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperazin-1-yl]ethanone
CID 135992288
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide
CID 135524948
[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazol-5-yl]-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 135992248
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-imidazole-5-carboxamide
CID 135992303
2-[4-[2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazole-5-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 135992231
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide
CID 135992170
N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
CID 135992142
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(4-hydroxybutyl)-4-phenyl-1H-imidazole-5-carboxamide
CID 135992201
N-[[5-(1H-indazol-5-yl)-4-methyl-3-pyridinyl]methyl]ethanamine
CID 141037155
tert-butyl N-[[5-[3-(4,5-diethyl-1H-imidazol-2-yl)-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]methyl]-N-ethylcarbamate;N-[[5-[3-(4,5-diethyl-1H-imidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine;hexane-3,4-dione
CID 158565040

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide (CID 135537710) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(C)C5CCN(C)C5)[nH]4)c3c2)c1C.
What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide?
The InChIKey is WRTIZKFKLLEQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O/c1-5-27-11-18-12-28-13-21(16(18)2)17-6-7-22-20(10-17)24(32-31-22)25-29-14-23(30-25)26(35)34(4)19-8-9-33(3)15-19/h6-7,10,12-14,19,27H,5,8-9,11,15H2,1-4H3,(H,29,30)(H,31,32).
What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide?
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide has a molecular weight of 472.60 g/mol, XLogP of 3.21, 7 rotatable bonds, 3 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-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135537710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).