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

C23H27N7O — CID 135524948

IUPAC2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NC(C)C)[nH]4)c3c2)c1C
InChIInChI=1S/C23H27N7O/c1-5-24-9-16-10-25-11-18(14(16)4)15-6-7-19-17(8-15)21(30-29-19)22-26-12-20(28-22)23(31)27-13(2)3/h6-8,10-13,24H,5,9H2,1-4H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyVPTHWGYUSFRHPX-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.57
Rot. Bonds7

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

2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide (PubChem CID 135524948) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide
PubChem CID135524948
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NC(C)C)[nH]4)c3c2)c1C
InChIInChI=1S/C23H27N7O/c1-5-24-9-16-10-25-11-18(14(16)4)15-6-7-19-17(8-15)21(30-29-19)22-26-12-20(28-22)23(31)27-13(2)3/h6-8,10-13,24H,5,9H2,1-4H3,(H,26,28)(H,27,31)(H,29,30)
InChIKeyVPTHWGYUSFRHPX-UHFFFAOYSA-N
XLogP3.57
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[3-(dimethylamino)propyl]-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-methyl-1H-imidazole-5-carboxamide
CID 135992290
N-cyclohexyl-2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-(2-hydroxyethyl)-1H-imidazole-5-carboxamide
CID 135992311
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-methyl-N-(1-methylpyrrolidin-3-yl)-1H-imidazole-5-carboxamide
CID 135537710
[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-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]propan-2-amine
CID 135433078
N-[[5-(1H-indazol-5-yl)-4-methyl-3-pyridinyl]methyl]ethanamine
CID 141037155

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide (CID 135524948) is 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide is CCNCc1cncc(-c2ccc3[nH]nc(-c4ncc(C(=O)NC(C)C)[nH]4)c3c2)c1C.
What is the InChIKey of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
The InChIKey is VPTHWGYUSFRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-5-24-9-16-10-25-11-18(14(16)4)15-6-7-19-17(8-15)21(30-29-19)22-26-12-20(28-22)23(31)27-13(2)3/h6-8,10-13,24H,5,9H2,1-4H3,(H,26,28)(H,27,31)(H,29,30).
What are the key properties of 2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide?
2-[5-[5-(ethylaminomethyl)-4-methyl-3-pyridinyl]-1H-indazol-3-yl]-N-propan-2-yl-1H-imidazole-5-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 4 hydrogen bond donors, and 5 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-propan-2-yl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).