4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine

C20H24BrN5O — CID 12050983

IUPAC4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
SMILESCC[C@H](COC)n1nnc2c(N3CCc4cc(Br)cc(C)c43)nc(C)cc21
InChIInChI=1S/C20H24BrN5O/c1-5-16(11-27-4)26-17-9-13(3)22-20(18(17)23-24-26)25-7-6-14-10-15(21)8-12(2)19(14)25/h8-10,16H,5-7,11H2,1-4H3/t16-/m1/s1
InChIKeyOOLWWCZTWQTMRE-MRXNPFEDSA-N
MW430.35 g/mol
LogP4.50
Rot. Bonds5

About 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine

4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine (PubChem CID 12050983) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
PubChem CID12050983
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine
SMILESCC[C@H](COC)n1nnc2c(N3CCc4cc(Br)cc(C)c43)nc(C)cc21
InChIInChI=1S/C20H24BrN5O/c1-5-16(11-27-4)26-17-9-13(3)22-20(18(17)23-24-26)25-7-6-14-10-15(21)8-12(2)19(14)25/h8-10,16H,5-7,11H2,1-4H3/t16-/m1/s1
InChIKeyOOLWWCZTWQTMRE-MRXNPFEDSA-N
XLogP4.50
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine (CID 12050983) is 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine is CC[C@H](COC)n1nnc2c(N3CCc4cc(Br)cc(C)c43)nc(C)cc21.
What is the InChIKey of 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
The InChIKey is OOLWWCZTWQTMRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-5-16(11-27-4)26-17-9-13(3)22-20(18(17)23-24-26)25-7-6-14-10-15(21)8-12(2)19(14)25/h8-10,16H,5-7,11H2,1-4H3/t16-/m1/s1.
What are the key properties of 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine?
4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine has a molecular weight of 430.35 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-7-methyl-2,3-dihydroindol-1-yl)-1-[(2R)-1-methoxybutan-2-yl]-6-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 12050983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).