[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

C24H24N4OS — CID 46353263

IUPAC[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C)n1-c1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncccc12
InChIInChI=1S/C24H24N4OS/c1-17-10-11-18(2)28(17)21-20-9-6-12-25-23(20)30-22(21)24(29)27-15-13-26(14-16-27)19-7-4-3-5-8-19/h3-12H,13-16H2,1-2H3
InChIKeyHVNULEKSMKGOEU-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.67
Rot. Bonds3

About [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone

[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 46353263) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID46353263
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C)n1-c1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncccc12
InChIInChI=1S/C24H24N4OS/c1-17-10-11-18(2)28(17)21-20-9-6-12-25-23(20)30-22(21)24(29)27-15-13-26(14-16-27)19-7-4-3-5-8-19/h3-12H,13-16H2,1-2H3
InChIKeyHVNULEKSMKGOEU-UHFFFAOYSA-N
XLogP4.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 92875746
ethyl 1-[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carbonyl]piperidine-4-carboxylate
CID 46353257
(4-pyrimidin-2-ylpiperazin-1-yl)-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 50800548
pyrrolidin-1-yl-(3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)methanone
CID 22577871
[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 4154221
5-methyl-6-(4-phenylpiperazine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4991094
(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 4093269
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
3-(2,5-dimethylpyrrol-1-yl)-N-[(4-fluorophenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 46353286
N-[(4-chlorophenyl)methyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353252
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353271
[4-(diethylamino)-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3494830

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 46353263) is [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(C)n1-c1c(C(=O)N2CCN(c3ccccc3)CC2)sc2ncccc12.
What is the InChIKey of [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HVNULEKSMKGOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-17-10-11-18(2)28(17)21-20-9-6-12-25-23(20)30-22(21)24(29)27-15-13-26(14-16-27)19-7-4-3-5-8-19/h3-12H,13-16H2,1-2H3.
What are the key properties of [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 416.55 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46353263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).