4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine

C20H23Cl2N5O — CID 70101713

IUPAC4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
SMILESCCC(CCOC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C20H23Cl2N5O/c1-4-15(6-8-28-3)27-17-9-12(2)23-20(18(17)24-25-27)26-7-5-13-10-14(21)11-16(22)19(13)26/h9-11,15H,4-8H2,1-3H3
InChIKeyFGBYNNHDSICDRA-UHFFFAOYSA-N
MW420.34 g/mol
LogP5.12
Rot. Bonds6

About 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine

4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine (PubChem CID 70101713) has the molecular formula C20H23Cl2N5O and a molecular weight of 420.34 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
PubChem CID70101713
Molecular FormulaC20H23Cl2N5O
Molecular Weight420.34 g/mol
Exact Mass419.13
IUPAC Name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine
SMILESCCC(CCOC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C20H23Cl2N5O/c1-4-15(6-8-28-3)27-17-9-12(2)23-20(18(17)24-25-27)26-7-5-13-10-14(21)11-16(22)19(13)26/h9-11,15H,4-8H2,1-3H3
InChIKeyFGBYNNHDSICDRA-UHFFFAOYSA-N
XLogP5.12
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.34
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine (CID 70101713) is 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine is CCC(CCOC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine?
The InChIKey is FGBYNNHDSICDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5O/c1-4-15(6-8-28-3)27-17-9-12(2)23-20(18(17)24-25-27)26-7-5-13-10-14(21)11-16(22)19(13)26/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine?
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine has a molecular weight of 420.34 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-1-(1-methoxypentan-3-yl)-6-methyltriazolo[4,5-c]pyridine is sourced from PubChem (CID 70101713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).