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

C25H32N6O2 — CID 155272872

IUPAC6-(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
SMILESCCC(CC)N1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C)cc32)C1
InChIInChI=1S/C25H32N6O2/c1-5-18(6-2)29-9-7-8-19(14-29)31-22-10-16(3)20(12-21(22)28-25(31)32)17-11-23(33-4)24-26-15-27-30(24)13-17/h10-13,15,18-19H,5-9,14H2,1-4H3,(H,28,32)/t19-/m1/s1
InChIKeyPXSHWYYSESLXKK-LJQANCHMSA-N
MW448.57 g/mol
LogP4.18
Rot. Bonds6

About 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

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 (PubChem CID 155272872) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID155272872
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name6-(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
SMILESCCC(CC)N1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C)cc32)C1
InChIInChI=1S/C25H32N6O2/c1-5-18(6-2)29-9-7-8-19(14-29)31-22-10-16(3)20(12-21(22)28-25(31)32)17-11-23(33-4)24-26-15-27-30(24)13-17/h10-13,15,18-19H,5-9,14H2,1-4H3,(H,28,32)/t19-/m1/s1
InChIKeyPXSHWYYSESLXKK-LJQANCHMSA-N
XLogP4.18
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(CC)N1CCC[C@@H](n2c(=O)[nH]c3cc(-c4cc(OC)c5ncnn5c4)c(C)cc32)C1.
What is the InChIKey of 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?
The InChIKey is PXSHWYYSESLXKK-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-5-18(6-2)29-9-7-8-19(14-29)31-22-10-16(3)20(12-21(22)28-25(31)32)17-11-23(33-4)24-26-15-27-30(24)13-17/h10-13,15,18-19H,5-9,14H2,1-4H3,(H,28,32)/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 448.57 g/mol, XLogP of 4.18, 6 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)-5-methyl-3-[(3R)-1-pentan-3-ylpiperidin-3-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 155272872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).