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

C27H34N6O3 — CID 155272771

IUPAC5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one
SMILESCCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2C1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C27H34N6O3/c1-3-17-12-24-23(14-22(17)18-13-25(35-2)26-28-16-29-32(26)15-18)31-27(34)33(24)21-6-4-19(5-7-21)30-20-8-10-36-11-9-20/h12-16,19-21,30H,3-11H2,1-2H3,(H,31,34)
InChIKeyBKULPDBRTFPVCE-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.86
Rot. Bonds6

About 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

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 (PubChem CID 155272771) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one
PubChem CID155272771
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name5-ethyl-6-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one
SMILESCCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2C1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C27H34N6O3/c1-3-17-12-24-23(14-22(17)18-13-25(35-2)26-28-16-29-32(26)15-18)31-27(34)33(24)21-6-4-19(5-7-21)30-20-8-10-36-11-9-20/h12-16,19-21,30H,3-11H2,1-2H3,(H,31,34)
InChIKeyBKULPDBRTFPVCE-UHFFFAOYSA-N
XLogP3.86
TPSA98.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc2c(cc1-c1cc(OC)c3ncnn3c1)[nH]c(=O)n2C1CCC(NC2CCOCC2)CC1.
What is the InChIKey of 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?
The InChIKey is BKULPDBRTFPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-3-17-12-24-23(14-22(17)18-13-25(35-2)26-28-16-29-32(26)15-18)31-27(34)33(24)21-6-4-19(5-7-21)30-20-8-10-36-11-9-20/h12-16,19-21,30H,3-11H2,1-2H3,(H,31,34).
What are the key properties of 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?
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 has a molecular weight of 490.61 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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-[4-(oxan-4-ylamino)cyclohexyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 155272771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).