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

C24H30N6O2 — CID 155272899

IUPAC3-[(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
SMILESCCN1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C(C)C)cc32)C1
InChIInChI=1S/C24H30N6O2/c1-5-28-8-6-7-17(13-28)30-21-11-18(15(2)3)19(10-20(21)27-24(30)31)16-9-22(32-4)23-25-14-26-29(23)12-16/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,27,31)/t17-/m1/s1
InChIKeyNLSYDJFFYYRNFQ-QGZVFWFLSA-N
MW434.54 g/mol
LogP3.83
Rot. Bonds5

About 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

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 (PubChem CID 155272899) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID155272899
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[(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
SMILESCCN1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C(C)C)cc32)C1
InChIInChI=1S/C24H30N6O2/c1-5-28-8-6-7-17(13-28)30-21-11-18(15(2)3)19(10-20(21)27-24(30)31)16-9-22(32-4)23-25-14-26-29(23)12-16/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,27,31)/t17-/m1/s1
InChIKeyNLSYDJFFYYRNFQ-QGZVFWFLSA-N
XLogP3.83
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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)-3-[(3S)-1-methylpiperidin-3-yl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272934
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
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
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
6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(2-methylpropylamino)cyclohexyl]-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272810
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
3-[4-(2-ethylbutylamino)cyclohexyl]-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272688
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C(C)C)cc32)C1.
What is the InChIKey of 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?
The InChIKey is NLSYDJFFYYRNFQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-5-28-8-6-7-17(13-28)30-21-11-18(15(2)3)19(10-20(21)27-24(30)31)16-9-22(32-4)23-25-14-26-29(23)12-16/h9-12,14-15,17H,5-8,13H2,1-4H3,(H,27,31)/t17-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 434.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155272899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).