[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]-piperazin-1-ylmethanone

C21H24N6OS — CID 166052727

IUPAC[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]-piperazin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3sc(C(=O)N4CCNCC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24N6OS/c1-12(2)17-15-9-16(21(28)26-6-4-22-5-7-26)29-20(15)25-18(17)14-8-13(3)19-23-11-24-27(19)10-14/h8-12,22,25H,4-7H2,1-3H3
InChIKeyKDVYZGBGHJHTDW-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.42
Rot. Bonds3

About [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]-piperazin-1-ylmethanone

[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]-piperazin-1-ylmethanone (PubChem CID 166052727) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is [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]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[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]-piperazin-1-ylmethanone
PubChem CID166052727
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name[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]-piperazin-1-ylmethanone
SMILESCc1cc(-c2[nH]c3sc(C(=O)N4CCNCC4)cc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C21H24N6OS/c1-12(2)17-15-9-16(21(28)26-6-4-22-5-7-26)29-20(15)25-18(17)14-8-13(3)19-23-11-24-27(19)10-14/h8-12,22,25H,4-7H2,1-3H3
InChIKeyKDVYZGBGHJHTDW-UHFFFAOYSA-N
XLogP3.42
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [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]-piperazin-1-ylmethanone with MolForge

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Related Compounds

[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
(4-hydroxypiperidin-1-yl)-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876603
[2-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]cyclopropyl]-piperazin-1-ylmethanone
CID 171742458
[(3R)-3-(methylamino)pyrrolidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876637
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
N-cyclopropyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-piperidin-4-yl-6-propan-2-yl-4H-thieno[3,2-b]pyrrole-2-carboxamide
CID 164876046
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
[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
[(2S,3S)-3-amino-2-methylpiperidin-1-yl]-[5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]methanone
CID 164876415
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-[(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-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382

Frequently Asked Questions

What is the IUPAC name of [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]-piperazin-1-ylmethanone?
The IUPAC name of [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]-piperazin-1-ylmethanone (CID 166052727) is [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]-piperazin-1-ylmethanone.
What is the SMILES notation for [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]-piperazin-1-ylmethanone?
The canonical SMILES for [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]-piperazin-1-ylmethanone is Cc1cc(-c2[nH]c3sc(C(=O)N4CCNCC4)cc3c2C(C)C)cn2ncnc12.
What is the InChIKey of [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]-piperazin-1-ylmethanone?
The InChIKey is KDVYZGBGHJHTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-12(2)17-15-9-16(21(28)26-6-4-22-5-7-26)29-20(15)25-18(17)14-8-13(3)19-23-11-24-27(19)10-14/h8-12,22,25H,4-7H2,1-3H3.
What are the key properties of [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]-piperazin-1-ylmethanone?
[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]-piperazin-1-ylmethanone has a molecular weight of 408.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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]-piperazin-1-ylmethanone is sourced from PubChem (CID 166052727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).