(3,3-dimethylpiperazin-1-yl)-[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]methanone

C23H30N6OS — CID 174347580

IUPAC(3,3-dimethylpiperazin-1-yl)-[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]methanone
SMILESCC1=CC(c2[nH]c3cc(C(=O)N4CCNC(C)(C)C4)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C23H30N6OS/c1-13(2)18-19(15-8-14(3)21-24-12-26-29(21)10-15)27-16-9-17(31-20(16)18)22(30)28-7-6-25-23(4,5)11-28/h8-10,12-13,21,25,27H,6-7,11H2,1-5H3,(H,24,26)
InChIKeyWNWPMFOTGRNODJ-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.65
Rot. Bonds3

About (3,3-dimethylpiperazin-1-yl)-[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]methanone

(3,3-dimethylpiperazin-1-yl)-[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]methanone (PubChem CID 174347580) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-[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]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-[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]methanone
PubChem CID174347580
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name(3,3-dimethylpiperazin-1-yl)-[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]methanone
SMILESCC1=CC(c2[nH]c3cc(C(=O)N4CCNC(C)(C)C4)sc3c2C(C)C)=CN2NC=NC12
InChIInChI=1S/C23H30N6OS/c1-13(2)18-19(15-8-14(3)21-24-12-26-29(21)10-15)27-16-9-17(31-20(16)18)22(30)28-7-6-25-23(4,5)11-28/h8-10,12-13,21,25,27H,6-7,11H2,1-5H3,(H,24,26)
InChIKeyWNWPMFOTGRNODJ-UHFFFAOYSA-N
XLogP3.65
TPSA75.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3,3-dimethylpiperazin-1-yl)-[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]methanone 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 (3,3-dimethylpiperazin-1-yl)-[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]methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-[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]methanone (CID 174347580) is (3,3-dimethylpiperazin-1-yl)-[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]methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-[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]methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-[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]methanone is CC1=CC(c2[nH]c3cc(C(=O)N4CCNC(C)(C)C4)sc3c2C(C)C)=CN2NC=NC12.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-[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]methanone?
The InChIKey is WNWPMFOTGRNODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-13(2)18-19(15-8-14(3)21-24-12-26-29(21)10-15)27-16-9-17(31-20(16)18)22(30)28-7-6-25-23(4,5)11-28/h8-10,12-13,21,25,27H,6-7,11H2,1-5H3,(H,24,26).
What are the key properties of (3,3-dimethylpiperazin-1-yl)-[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]methanone?
(3,3-dimethylpiperazin-1-yl)-[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]methanone has a molecular weight of 438.60 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-[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]methanone is sourced from PubChem (CID 174347580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).