1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine

C21H24N6O — CID 135820363

IUPAC1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N(C)C)C5)cc4[nH]3)c2c1
InChIInChI=1S/C21H24N6O/c1-26(2)14-8-9-27(12-14)13-4-6-18-19(10-13)23-21(22-18)20-16-11-15(28-3)5-7-17(16)24-25-20/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyXAFYSSWMWUEBCV-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine

1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 135820363) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID135820363
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N(C)C)C5)cc4[nH]3)c2c1
InChIInChI=1S/C21H24N6O/c1-26(2)14-8-9-27(12-14)13-4-6-18-19(10-13)23-21(22-18)20-16-11-15(28-3)5-7-17(16)24-25-20/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyXAFYSSWMWUEBCV-UHFFFAOYSA-N
XLogP3.26
TPSA73.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 154053542
3-(6-imidazol-1-yl-1H-benzimidazol-2-yl)-5-methoxy-1H-indazole
CID 135820320
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133151
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]oxy]pyridine-3-carbonitrile
CID 135820485
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
4-(3-fluoropiperidin-1-yl)benzene-1,2-diamine;3-[6-(3-fluoropiperidin-1-yl)-1H-benzimidazol-2-yl]-5-phenoxy-1H-indazole;5-phenoxy-2H-indazole-3-carbaldehyde
CID 159727111
3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol
CID 135820183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine (CID 135820363) is 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine is COc1ccc2[nH]nc(-c3nc4ccc(N5CCC(N(C)C)C5)cc4[nH]3)c2c1.
What is the InChIKey of 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is XAFYSSWMWUEBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)14-8-9-27(12-14)13-4-6-18-19(10-13)23-21(22-18)20-16-11-15(28-3)5-7-17(16)24-25-20/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 376.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 135820363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).