5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one

C25H29N9O — CID 155272731

IUPAC5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C25H29N9O/c1-15-9-22-21(10-20(15)17-8-16(2)24-27-13-29-33(24)12-17)30-25(35)34(22)19-6-4-18(5-7-19)26-11-23-28-14-32(3)31-23/h8-10,12-14,18-19,26H,4-7,11H2,1-3H3,(H,30,35)
InChIKeyPQAHTGAKYZHNGY-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.06
Rot. Bonds5

About 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one

5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one (PubChem CID 155272731) has the molecular formula C25H29N9O and a molecular weight of 471.57 g/mol. Its IUPAC name is 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one
PubChem CID155272731
Molecular FormulaC25H29N9O
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(NCc2ncn(C)n2)CC1
InChIInChI=1S/C25H29N9O/c1-15-9-22-21(10-20(15)17-8-16(2)24-27-13-29-33(24)12-17)30-25(35)34(22)19-6-4-18(5-7-19)26-11-23-28-14-32(3)31-23/h8-10,12-14,18-19,26H,4-7,11H2,1-3H3,(H,30,35)
InChIKeyPQAHTGAKYZHNGY-UHFFFAOYSA-N
XLogP3.06
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one (CID 155272731) is 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one is Cc1cc2c(cc1-c1cc(C)c3ncnn3c1)[nH]c(=O)n2C1CCC(NCc2ncn(C)n2)CC1.
What is the InChIKey of 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one?
The InChIKey is PQAHTGAKYZHNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O/c1-15-9-22-21(10-20(15)17-8-16(2)24-27-13-29-33(24)12-17)30-25(35)34(22)19-6-4-18(5-7-19)26-11-23-28-14-32(3)31-23/h8-10,12-14,18-19,26H,4-7,11H2,1-3H3,(H,30,35).
What are the key properties of 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one?
5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one has a molecular weight of 471.57 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 155272731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).