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

C24H30ClN5S — CID 166052702

IUPAC2-(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
SMILESCc1c(C2CC3CCC(C2)N3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cl
InChIInChI=1S/C24H29N5S.ClH/c1-12(2)19-20-14(4)22(15-8-17-5-6-18(9-15)27-17)30-24(20)28-21(19)16-7-13(3)23-25-11-26-29(23)10-16;/h7,10-12,15,17-18,27-28H,5-6,8-9H2,1-4H3;1H
InChIKeyNFQRNXAAGKRUDO-UHFFFAOYSA-N
MW456.06 g/mol
LogP6.10
Rot. Bonds3

About 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

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 (PubChem CID 166052702) has the molecular formula C24H30ClN5S and a molecular weight of 456.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID166052702
Molecular FormulaC24H30ClN5S
Molecular Weight456.06 g/mol
Exact Mass455.19
IUPAC Name2-(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
SMILESCc1c(C2CC3CCC(C2)N3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cl
InChIInChI=1S/C24H29N5S.ClH/c1-12(2)19-20-14(4)22(15-8-17-5-6-18(9-15)27-17)30-24(20)28-21(19)16-7-13(3)23-25-11-26-29(23)10-16;/h7,10-12,15,17-18,27-28H,5-6,8-9H2,1-4H3;1H
InChIKeyNFQRNXAAGKRUDO-UHFFFAOYSA-N
XLogP6.10
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.06
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 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
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-[(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
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-(9-azabicyclo[3.3.1]nonan-3-yl)-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrole
CID 171742443
[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
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C2CC3CCC(C2)N3)sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c12.Cl.
What is the InChIKey of 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?
The InChIKey is NFQRNXAAGKRUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S.ClH/c1-12(2)19-20-14(4)22(15-8-17-5-6-18(9-15)27-17)30-24(20)28-21(19)16-7-13(3)23-25-11-26-29(23)10-16;/h7,10-12,15,17-18,27-28H,5-6,8-9H2,1-4H3;1H.
What are the key properties of 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?
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 has a molecular weight of 456.06 g/mol, XLogP of 6.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166052702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).