2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

C20H17N7O — CID 129051764

IUPAC2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccnc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1
InChIInChI=1S/C20H17N7O/c1-11-10-22-12(2)20-25-18(26-27(11)20)13-6-7-14-15(9-13)24-19(23-14)17-16(28-3)5-4-8-21-17/h4-10H,1-3H3,(H,23,24)
InChIKeyBCKNQKOIVLALNV-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine

2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129051764) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129051764
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCOc1cccnc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1
InChIInChI=1S/C20H17N7O/c1-11-10-22-12(2)20-25-18(26-27(11)20)13-6-7-14-15(9-13)24-19(23-14)17-16(28-3)5-4-8-21-17/h4-10H,1-3H3,(H,23,24)
InChIKeyBCKNQKOIVLALNV-UHFFFAOYSA-N
XLogP3.36
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-thiazole
CID 129051760
5,8-dimethyl-2-(2-pyrazin-2-yl-3H-benzimidazol-5-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525812
3-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-5-methyl-1,2-oxazole
CID 136960291
2-(6-fluoro-2-pyridin-2-yl-1H-benzimidazol-5-yl)-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525782
6-methoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
CID 155550554
5,6-dimethoxy-2-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 62874984
2-[2-(4-methoxy-1H-benzimidazol-2-yl)cyclopropyl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine
CID 72709139
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
2-(4-methoxy-1H-benzimidazol-2-yl)pyridine-3-carboxylic acid
CID 67942842
[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
CID 66602187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine (CID 129051764) is 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is COc1cccnc1-c1nc2ccc(-c3nc4c(C)ncc(C)n4n3)cc2[nH]1.
What is the InChIKey of 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is BCKNQKOIVLALNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c1-11-10-22-12(2)20-25-18(26-27(11)20)13-6-7-14-15(9-13)24-19(23-14)17-16(28-3)5-4-8-21-17/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine?
2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 371.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-2-pyridinyl)-3H-benzimidazol-5-yl]-5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129051764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).