N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine

C21H22N6O — CID 135723775

IUPACN-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C21H22N6O/c1-3-22-11-15-8-14(10-23-12-15)4-5-16-13-24-27-20(16)21-25-18-7-6-17(28-2)9-19(18)26-21/h4-10,12-13,22H,3,11H2,1-2H3,(H,24,27)(H,25,26)/b5-4+
InChIKeyUGFPMKJYLKNPOF-SNAWJCMRSA-N
MW374.45 g/mol
LogP3.64
Rot. Bonds7

About N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine

N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine (PubChem CID 135723775) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
PubChem CID135723775
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1
InChIInChI=1S/C21H22N6O/c1-3-22-11-15-8-14(10-23-12-15)4-5-16-13-24-27-20(16)21-25-18-7-6-17(28-2)9-19(18)26-21/h4-10,12-13,22H,3,11H2,1-2H3,(H,24,27)(H,25,26)/b5-4+
InChIKeyUGFPMKJYLKNPOF-SNAWJCMRSA-N
XLogP3.64
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Raf265
CID 11656518
Pyrazolopyridazine 1
CID 6539361
N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea
CID 135566617
5-Butyl-8-(4-methoxy-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine
CID 135464144
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443
7-(3-methoxyphenyl)-N-[(E)-pyridin-4-ylmethylideneamino]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 9604912
1-(3-methoxyphenyl)-3-propyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604967
1-(3-methoxyphenyl)-3-propan-2-yl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 9604968
5-methyl-N-[3-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11174936

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine (CID 135723775) is N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(/C=C/c2cn[nH]c2-c2nc3ccc(OC)cc3[nH]2)c1.
What is the InChIKey of N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
The InChIKey is UGFPMKJYLKNPOF-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H22N6O/c1-3-22-11-15-8-14(10-23-12-15)4-5-16-13-24-27-20(16)21-25-18-7-6-17(28-2)9-19(18)26-21/h4-10,12-13,22H,3,11H2,1-2H3,(H,24,27)(H,25,26)/b5-4+.
What are the key properties of N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine?
N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 374.45 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(E)-2-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]ethenyl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 135723775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).