2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

C23H26N4S — CID 167589201

IUPAC2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCc1c(C23CCCC2C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C23H26N4S/c1-12(2)17-18-14(4)20(23-7-5-6-16(23)9-23)28-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)10-15/h8,10-12,16,26H,5-7,9H2,1-4H3
InChIKeyFYNYOYHQKVCJIL-UHFFFAOYSA-N
MW390.56 g/mol
LogP6.12
Rot. Bonds3

About 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (PubChem CID 167589201) has the molecular formula C23H26N4S and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
PubChem CID167589201
Molecular FormulaC23H26N4S
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Name2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCc1c(C23CCCC2C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12
InChIInChI=1S/C23H26N4S/c1-12(2)17-18-14(4)20(23-7-5-6-16(23)9-23)28-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)10-15/h8,10-12,16,26H,5-7,9H2,1-4H3
InChIKeyFYNYOYHQKVCJIL-UHFFFAOYSA-N
XLogP6.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole with MolForge

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Related Compounds

2-cyclohexyl-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 167700981
2-(2-azaspiro[3.3]heptan-6-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 166077170
2-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole;hydrochloride
CID 166052702
[7-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azaspiro[3.5]nonan-2-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 166052628
[4-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]-piperazin-1-ylmethanone
CID 166052684
1-[2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-6-azaspiro[2.5]octan-6-yl]propan-2-one
CID 167605528
4-[4-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]thiane 1,1-dioxide
CID 166052629
2-[(3R)-3-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]pyrrolidin-1-yl]acetamide
CID 166052376
3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(6-piperazin-1-yl-3-pyridinyl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
CID 166052601
ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate
CID 166077072
5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 164876114
2-[(5S)-5-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]-2-azabicyclo[2.2.2]octan-2-yl]acetamide
CID 166077095

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (CID 167589201) is 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is Cc1c(C23CCCC2C3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.
What is the InChIKey of 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The InChIKey is FYNYOYHQKVCJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4S/c1-12(2)17-18-14(4)20(23-7-5-6-16(23)9-23)28-22(18)26-19(17)15-8-13(3)21-24-11-25-27(21)10-15/h8,10-12,16,26H,5-7,9H2,1-4H3.
What are the key properties of 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole has a molecular weight of 390.56 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[3.1.0]hexanyl)-3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 167589201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).