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

C23H28N6O2 — CID 155272934

IUPAC6-(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
SMILESCOc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C)C4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O2/c1-14(2)17-10-20-19(26-23(30)29(20)16-6-5-7-27(3)12-16)9-18(17)15-8-21(31-4)22-24-13-25-28(22)11-15/h8-11,13-14,16H,5-7,12H2,1-4H3,(H,26,30)/t16-/m0/s1
InChIKeyMGCXEFYMDCAIJK-INIZCTEOSA-N
MW420.52 g/mol
LogP3.44
Rot. Bonds4

About 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

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 (PubChem CID 155272934) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID155272934
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name6-(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
SMILESCOc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C)C4)c3cc2C(C)C)cn2ncnc12
InChIInChI=1S/C23H28N6O2/c1-14(2)17-10-20-19(26-23(30)29(20)16-6-5-7-27(3)12-16)9-18(17)15-8-21(31-4)22-24-13-25-28(22)11-15/h8-11,13-14,16H,5-7,12H2,1-4H3,(H,26,30)/t16-/m0/s1
InChIKeyMGCXEFYMDCAIJK-INIZCTEOSA-N
XLogP3.44
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(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
6-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1-methylpiperidin-3-yl)-5-propan-2-yl-1H-benzimidazol-2-one
CID 155272697
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
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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(-c2cc3[nH]c(=O)n([C@H]4CCCN(C)C4)c3cc2C(C)C)cn2ncnc12.
What is the InChIKey of 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?
The InChIKey is MGCXEFYMDCAIJK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-14(2)17-10-20-19(26-23(30)29(20)16-6-5-7-27(3)12-16)9-18(17)15-8-21(31-4)22-24-13-25-28(22)11-15/h8-11,13-14,16H,5-7,12H2,1-4H3,(H,26,30)/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 420.52 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155272934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).