6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H24ClN7 — CID 72705845

IUPAC6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H24ClN7/c1-12-15(20)11-14(13-5-6-13)18-21-16(23-27(12)18)7-8-17-22-19(24-25(17)2)26-9-3-4-10-26/h11,13H,3-10H2,1-2H3
InChIKeyMCSHFSKQGWPIPE-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.08
Rot. Bonds5

About 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 72705845) has the molecular formula C19H24ClN7 and a molecular weight of 385.90 g/mol. Its IUPAC name is 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID72705845
Molecular FormulaC19H24ClN7
Molecular Weight385.90 g/mol
Exact Mass385.18
IUPAC Name6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H24ClN7/c1-12-15(20)11-14(13-5-6-13)18-21-16(23-27(12)18)7-8-17-22-19(24-25(17)2)26-9-3-4-10-26/h11,13H,3-10H2,1-2H3
InChIKeyMCSHFSKQGWPIPE-UHFFFAOYSA-N
XLogP3.08
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 72705845) is 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(C2CC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MCSHFSKQGWPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN7/c1-12-15(20)11-14(13-5-6-13)18-21-16(23-27(12)18)7-8-17-22-19(24-25(17)2)26-9-3-4-10-26/h11,13H,3-10H2,1-2H3.
What are the key properties of 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 385.90 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-cyclopropyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 72705845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).