[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone

C22H27N5OS — CID 174353165

IUPAC[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone
SMILESCC1=CC(c2[nH]c3cc(C(=O)C4CCNCC4)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C22H27N5OS/c1-12(2)18-19(15-8-13(3)22-24-11-25-27(22)10-15)26-16-9-17(29-21(16)18)20(28)14-4-6-23-7-5-14/h8-12,14,22-23,26H,4-7H2,1-3H3,(H,24,25)
InChIKeyBBABTOKKBGTHLM-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.01
Rot. Bonds4

About [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone

[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone (PubChem CID 174353165) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone
PubChem CID174353165
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone
SMILESCC1=CC(c2[nH]c3cc(C(=O)C4CCNCC4)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C22H27N5OS/c1-12(2)18-19(15-8-13(3)22-24-11-25-27(22)10-15)26-16-9-17(29-21(16)18)20(28)14-4-6-23-7-5-14/h8-12,14,22-23,26H,4-7H2,1-3H3,(H,24,25)
InChIKeyBBABTOKKBGTHLM-UHFFFAOYSA-N
XLogP4.01
TPSA72.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone?
The IUPAC name of [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone (CID 174353165) is [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone is CC1=CC(c2[nH]c3cc(C(=O)C4CCNCC4)sc3c2C(C)C)=CN2NC=NC12.
What is the InChIKey of [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone?
The InChIKey is BBABTOKKBGTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-12(2)18-19(15-8-13(3)22-24-11-25-27(22)10-15)26-16-9-17(29-21(16)18)20(28)14-4-6-23-7-5-14/h8-12,14,22-23,26H,4-7H2,1-3H3,(H,24,25).
What are the key properties of [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone?
[5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone has a molecular weight of 409.56 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-methyl-3,8a-dihydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-6-propan-2-yl-4H-thieno[3,2-b]pyrrol-2-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 174353165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).