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

C20H24ClN5 — CID 18629249

IUPAC4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
SMILESCCC(CC)n1nnc2c(N3CCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C20H24ClN5/c1-5-15(6-2)26-17-11-13(4)22-20(18(17)23-24-26)25-8-7-14-9-12(3)10-16(21)19(14)25/h9-11,15H,5-8H2,1-4H3
InChIKeyXBGCHVCRZZWDOM-UHFFFAOYSA-N
MW369.90 g/mol
LogP5.15
Rot. Bonds4

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

4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine (PubChem CID 18629249) has the molecular formula C20H24ClN5 and a molecular weight of 369.90 g/mol. Its IUPAC name is 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
PubChem CID18629249
Molecular FormulaC20H24ClN5
Molecular Weight369.90 g/mol
Exact Mass369.17
IUPAC Name4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine
SMILESCCC(CC)n1nnc2c(N3CCc4cc(C)cc(Cl)c43)nc(C)cc21
InChIInChI=1S/C20H24ClN5/c1-5-15(6-2)26-17-11-13(4)22-20(18(17)23-24-26)25-8-7-14-9-12(3)10-16(21)19(14)25/h9-11,15H,5-8H2,1-4H3
InChIKeyXBGCHVCRZZWDOM-UHFFFAOYSA-N
XLogP5.15
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.90
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The IUPAC name of 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine (CID 18629249) is 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The canonical SMILES for 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine is CCC(CC)n1nnc2c(N3CCc4cc(C)cc(Cl)c43)nc(C)cc21.
What is the InChIKey of 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
The InChIKey is XBGCHVCRZZWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5/c1-5-15(6-2)26-17-11-13(4)22-20(18(17)23-24-26)25-8-7-14-9-12(3)10-16(21)19(14)25/h9-11,15H,5-8H2,1-4H3.
What are the key properties of 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine?
4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine has a molecular weight of 369.90 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-5-methyl-2,3-dihydroindol-1-yl)-6-methyl-1-pentan-3-yltriazolo[4,5-c]pyridine is sourced from PubChem (CID 18629249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).