N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

C23H22N6 — CID 135527102

IUPACN-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C23H22N6/c1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyAWWXCJOYTYVQJQ-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.59
Rot. Bonds5

About N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine

N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (PubChem CID 135527102) has the molecular formula C23H22N6 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
PubChem CID135527102
Molecular FormulaC23H22N6
Molecular Weight382.47 g/mol
Exact Mass382.19
IUPAC NameN-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C
InChIInChI=1S/C23H22N6/c1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyAWWXCJOYTYVQJQ-UHFFFAOYSA-N
XLogP4.59
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

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Gsk-1070916
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Ag-24322
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N~2~-1H-benzimidazol-5-yl-N~4~-(3-cyclopropyl-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
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CID 135464491
BN-81,644
CID 9802572
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
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3-[4-[2-(4-piperidin-4-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 155570099
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine (CID 135527102) is N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C.
What is the InChIKey of N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is AWWXCJOYTYVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6/c1-3-24-11-16-12-25-13-18(14(16)2)15-8-9-19-17(10-15)22(29-28-19)23-26-20-6-4-5-7-21(20)27-23/h4-10,12-13,24H,3,11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine?
N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 382.47 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 135527102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).