6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

C30H28N6 — CID 176583080

IUPAC6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2cc(C)c3ncnn3c2)[nH]c2cc(-c3ccc4nc(C5C[C@@H]6CC[C@H]5C6)[nH]c4c3)ccc12
InChIInChI=1S/C30H28N6/c1-16-9-22(14-36-30(16)31-15-32-36)28-17(2)23-7-5-19(12-26(23)33-28)20-6-8-25-27(13-20)35-29(34-25)24-11-18-3-4-21(24)10-18/h5-9,12-15,18,21,24,33H,3-4,10-11H2,1-2H3,(H,34,35)/t18-,21+,24?/m1/s1
InChIKeyDIQRHYUZMWQKIK-BGNYOVEWSA-N
MW472.60 g/mol
LogP6.94
Rot. Bonds3

About 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine

6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 176583080) has the molecular formula C30H28N6 and a molecular weight of 472.60 g/mol. Its IUPAC name is 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID176583080
Molecular FormulaC30H28N6
Molecular Weight472.60 g/mol
Exact Mass472.24
IUPAC Name6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(-c2cc(C)c3ncnn3c2)[nH]c2cc(-c3ccc4nc(C5C[C@@H]6CC[C@H]5C6)[nH]c4c3)ccc12
InChIInChI=1S/C30H28N6/c1-16-9-22(14-36-30(16)31-15-32-36)28-17(2)23-7-5-19(12-26(23)33-28)20-6-8-25-27(13-20)35-29(34-25)24-11-18-3-4-21(24)10-18/h5-9,12-15,18,21,24,33H,3-4,10-11H2,1-2H3,(H,34,35)/t18-,21+,24?/m1/s1
InChIKeyDIQRHYUZMWQKIK-BGNYOVEWSA-N
XLogP6.94
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.60
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 176583080) is 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2cc(C)c3ncnn3c2)[nH]c2cc(-c3ccc4nc(C5C[C@@H]6CC[C@H]5C6)[nH]c4c3)ccc12.
What is the InChIKey of 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DIQRHYUZMWQKIK-BGNYOVEWSA-N. The full InChI is InChI=1S/C30H28N6/c1-16-9-22(14-36-30(16)31-15-32-36)28-17(2)23-7-5-19(12-26(23)33-28)20-6-8-25-27(13-20)35-29(34-25)24-11-18-3-4-21(24)10-18/h5-9,12-15,18,21,24,33H,3-4,10-11H2,1-2H3,(H,34,35)/t18-,21+,24?/m1/s1.
What are the key properties of 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 472.60 g/mol, XLogP of 6.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-3H-benzimidazol-5-yl]-3-methyl-1H-indol-2-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 176583080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).