2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

C22H27N5S — CID 167553716

IUPAC2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCc1c(C2CCCCC2)sc2[nH]c(-c3cc(C)c4nnnn4c3)c(C(C)C)c12
InChIInChI=1S/C22H27N5S/c1-12(2)17-18-14(4)20(15-8-6-5-7-9-15)28-22(18)23-19(17)16-10-13(3)21-24-25-26-27(21)11-16/h10-12,15,23H,5-9H2,1-4H3
InChIKeyBZHRTLGAWBHSCR-UHFFFAOYSA-N
MW393.56 g/mol
LogP6.12
Rot. Bonds3

About 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole

2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (PubChem CID 167553716) has the molecular formula C22H27N5S and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.

Molecular Properties

Compound Name2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
PubChem CID167553716
Molecular FormulaC22H27N5S
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole
SMILESCc1c(C2CCCCC2)sc2[nH]c(-c3cc(C)c4nnnn4c3)c(C(C)C)c12
InChIInChI=1S/C22H27N5S/c1-12(2)17-18-14(4)20(15-8-6-5-7-9-15)28-22(18)23-19(17)16-10-13(3)21-24-25-26-27(21)11-16/h10-12,15,23H,5-9H2,1-4H3
InChIKeyBZHRTLGAWBHSCR-UHFFFAOYSA-N
XLogP6.12
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-[4-[3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]piperidin-1-yl]propan-2-one
CID 167545670
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
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-[(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
[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-[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
[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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The IUPAC name of 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole (CID 167553716) is 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole.
What is the SMILES notation for 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The canonical SMILES for 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is Cc1c(C2CCCCC2)sc2[nH]c(-c3cc(C)c4nnnn4c3)c(C(C)C)c12.
What is the InChIKey of 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
The InChIKey is BZHRTLGAWBHSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5S/c1-12(2)17-18-14(4)20(15-8-6-5-7-9-15)28-22(18)23-19(17)16-10-13(3)21-24-25-26-27(21)11-16/h10-12,15,23H,5-9H2,1-4H3.
What are the key properties of 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole?
2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole has a molecular weight of 393.56 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3-methyl-5-(8-methyltetrazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrole is sourced from PubChem (CID 167553716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).