4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine

C19H21Cl2N5 — CID 18629227

IUPAC4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
SMILESCCC(CC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3
InChIKeyBEGBSSPFQACGIG-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.50
Rot. Bonds4

About 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine

4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine (PubChem CID 18629227) has the molecular formula C19H21Cl2N5 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
PubChem CID18629227
Molecular FormulaC19H21Cl2N5
Molecular Weight390.32 g/mol
Exact Mass389.12
IUPAC Name4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
SMILESCCC(CC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3
InChIKeyBEGBSSPFQACGIG-UHFFFAOYSA-N
XLogP5.50
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine (CID 18629227) is 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine is CCC(CC)n1nnc2c(N3CCc4cc(Cl)cc(Cl)c43)nc(C)cc21.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The InChIKey is BEGBSSPFQACGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5/c1-4-14(5-2)26-16-8-11(3)22-19(17(16)23-24-26)25-7-6-12-9-13(20)10-15(21)18(12)25/h8-10,14H,4-7H2,1-3H3.
What are the key properties of 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine has a molecular weight of 390.32 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine is sourced from PubChem (CID 18629227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).