8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine

C21H18ClN3O — CID 134131502

IUPAC8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2
InChIKeyHKCWMFRSAOXRPW-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.07
Rot. Bonds5

About 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 134131502) has the molecular formula C21H18ClN3O and a molecular weight of 363.85 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID134131502
Molecular FormulaC21H18ClN3O
Molecular Weight363.85 g/mol
Exact Mass363.11
IUPAC Name8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12
InChIInChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2
InChIKeyHKCWMFRSAOXRPW-UHFFFAOYSA-N
XLogP5.07
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

8-chloro-3-(cyclopropylmethyl)-7-(pyridin-3-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine
CID 134130869
2-(cyclopropylmethyl)naphthalene
CID 19063908
8-chloro-3-(cyclopropylmethyl)-7-[4-phenyl-4-(trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 57459504
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
8-chloro-3-(cyclopropylmethyl)-7-[4-(2,4-difluoro-6-methoxyphenyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 69093928
2-chloro-1-(naphthalen-2-ylmethyl)imidazole
CID 141349461
4-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]oxy]cyclohexan-1-ol
CID 144811070
[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanethione
CID 3578654
(4S)-N-[[3-(cyclopropylmethyl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
CID 123917147
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
2,6-dichloro-N-[4-(naphthalen-2-ylmethoxy)phenyl]aniline
CID 19813720
2-(phosphorosooxymethyl)naphthalene
CID 69098049

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine (CID 134131502) is 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine is Clc1c(OCc2ccc3ccccc3c2)ccn2c(CC3CC3)nnc12.
What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HKCWMFRSAOXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O/c22-20-18(9-10-25-19(12-14-5-6-14)23-24-21(20)25)26-13-15-7-8-16-3-1-2-4-17(16)11-15/h1-4,7-11,14H,5-6,12-13H2.
What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 363.85 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(cyclopropylmethyl)-7-(naphthalen-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 134131502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).