5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one

C24H30N6O2 — CID 155272663

IUPAC5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one
SMILESCCCN1CCCC(n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(CC)cc32)C1
InChIInChI=1S/C24H30N6O2/c1-4-8-28-9-6-7-18(14-28)30-21-10-16(5-2)19(12-20(21)27-24(30)31)17-11-22(32-3)23-25-15-26-29(23)13-17/h10-13,15,18H,4-9,14H2,1-3H3,(H,27,31)
InChIKeyDEQWTBDOKIPULY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.66
Rot. Bonds6

About 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one

5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one (PubChem CID 155272663) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one
PubChem CID155272663
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one
SMILESCCCN1CCCC(n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(CC)cc32)C1
InChIInChI=1S/C24H30N6O2/c1-4-8-28-9-6-7-18(14-28)30-21-10-16(5-2)19(12-20(21)27-24(30)31)17-11-22(32-3)23-25-15-26-29(23)13-17/h10-13,15,18H,4-9,14H2,1-3H3,(H,27,31)
InChIKeyDEQWTBDOKIPULY-UHFFFAOYSA-N
XLogP3.66
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-3-[1-(2-methoxyethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
CID 155272885
3-[(3R)-1-(2,2-dimethylpropyl)piperidin-3-yl]-5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
CID 155272707
3-[(3R)-1-ethylpiperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272899
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3R)-1-(oxan-3-yl)piperidin-3-yl]-1H-benzimidazol-2-one
CID 155272599
3-[(3S)-1-(2-ethylbutyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272674
3-[(3R)-1-(2-ethylbutyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272668
3-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272973
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-methyl-3-[(3R)-1-pentan-3-ylpiperidin-3-yl]-1H-benzimidazol-2-one
CID 155272872
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3S)-1-methylpiperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272934
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one
CID 155272771
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272939
3-[(3R)-1-(2-ethylbutyl)piperidin-3-yl]-5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-benzimidazol-2-one
CID 155272782

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one?
The IUPAC name of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one (CID 155272663) is 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one is CCCN1CCCC(n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(CC)cc32)C1.
What is the InChIKey of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one?
The InChIKey is DEQWTBDOKIPULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-4-8-28-9-6-7-18(14-28)30-21-10-16(5-2)19(12-20(21)27-24(30)31)17-11-22(32-3)23-25-15-26-29(23)13-17/h10-13,15,18H,4-9,14H2,1-3H3,(H,27,31).
What are the key properties of 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one?
5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one has a molecular weight of 434.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-propylpiperidin-3-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 155272663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).