7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C19H24N4S — CID 166077040

IUPAC7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(C)c1c(SC)[nH]c(-c2cn3ncnc3c(C)c2C)c1C(C)C
InChIInChI=1S/C19H24N4S/c1-10(2)15-16(11(3)4)19(24-7)22-17(15)14-8-23-18(20-9-21-23)13(6)12(14)5/h8-10,22H,3H2,1-2,4-7H3
InChIKeyPONPOYGTBBAZQG-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.22
Rot. Bonds4

About 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 166077040) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID166077040
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESC=C(C)c1c(SC)[nH]c(-c2cn3ncnc3c(C)c2C)c1C(C)C
InChIInChI=1S/C19H24N4S/c1-10(2)15-16(11(3)4)19(24-7)22-17(15)14-8-23-18(20-9-21-23)13(6)12(14)5/h8-10,22H,3H2,1-2,4-7H3
InChIKeyPONPOYGTBBAZQG-UHFFFAOYSA-N
XLogP5.22
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
6-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686249
7,8-dimethyl-6-(2-piperidin-4-yl-7-propan-2-yl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155161041
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
CID 154639415
6-[5-(3,5-dimethylpiperazin-1-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 138686960
7,8-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 155226265
[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclobutyl]urea
CID 166008783
5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-4-propan-2-yl-2-spiro[3.3]heptan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167679677
5-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-2-piperidin-3-yl-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167217305
7,8-dimethyl-6-[3-propan-2-yl-5-(3-propan-2-ylpiperazin-1-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 138725736
N-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]cyclohexyl]-N-methylacetamide
CID 138686257
4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-1-(nitromethyl)cyclohexan-1-ol
CID 138686926

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 166077040) is 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is C=C(C)c1c(SC)[nH]c(-c2cn3ncnc3c(C)c2C)c1C(C)C.
What is the InChIKey of 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PONPOYGTBBAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-10(2)15-16(11(3)4)19(24-7)22-17(15)14-8-23-18(20-9-21-23)13(6)12(14)5/h8-10,22H,3H2,1-2,4-7H3.
What are the key properties of 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 340.50 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-6-(5-methylsulfanyl-3-propan-2-yl-4-prop-1-en-2-yl-1H-pyrrol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 166077040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).