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

C28H35N7O2 — CID 135992311

IUPACN-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(CCO)C5CCCCC5)[nH]4)c3c2)c1C
InChIInChI=1S/C28H35N7O2/c1-3-29-14-20-15-30-16-23(18(20)2)19-9-10-24-22(13-19)26(34-33-24)27-31-17-25(32-27)28(37)35(11-12-36)21-7-5-4-6-8-21/h9-10,13,15-17,21,29,36H,3-8,11-12,14H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyKUBJPYSYGDNKOM-UHFFFAOYSA-N
MW501.64 g/mol
LogP4.20
Rot. Bonds9

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

N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide (PubChem CID 135992311) has the molecular formula C28H35N7O2 and a molecular weight of 501.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
PubChem CID135992311
Molecular FormulaC28H35N7O2
Molecular Weight501.64 g/mol
Exact Mass501.29
IUPAC NameN-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(CCO)C5CCCCC5)[nH]4)c3c2)c1C
InChIInChI=1S/C28H35N7O2/c1-3-29-14-20-15-30-16-23(18(20)2)19-9-10-24-22(13-19)26(34-33-24)27-31-17-25(32-27)28(37)35(11-12-36)21-7-5-4-6-8-21/h9-10,13,15-17,21,29,36H,3-8,11-12,14H2,1-2H3,(H,31,32)(H,33,34)
InChIKeyKUBJPYSYGDNKOM-UHFFFAOYSA-N
XLogP4.20
TPSA122.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.64
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 135992290
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]-N-[1-(hydroxymethyl)cyclopentyl]-1H-imidazole-5-carboxamide
CID 135992170
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-[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]-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-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(4-hydroxybutyl)-4-phenyl-1H-imidazole-5-carboxamide
CID 135992201
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
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 N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide (CID 135992311) is N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)N(CCO)C5CCCCC5)[nH]4)c3c2)c1C.
What is the InChIKey of N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?
The InChIKey is KUBJPYSYGDNKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O2/c1-3-29-14-20-15-30-16-23(18(20)2)19-9-10-24-22(13-19)26(34-33-24)27-31-17-25(32-27)28(37)35(11-12-36)21-7-5-4-6-8-21/h9-10,13,15-17,21,29,36H,3-8,11-12,14H2,1-2H3,(H,31,32)(H,33,34).
What are the key properties of N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide?
N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide has a molecular weight of 501.64 g/mol, XLogP of 4.20, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135992311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).