2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one

C21H24N4O2S — CID 53167263

IUPAC2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
InChIInChI=1S/C21H24N4O2S/c1-3-9-24-10-7-16-19(21(24)27)18(15(2)28-16)20(26)25-13-11-23(12-14-25)17-6-4-5-8-22-17/h4-8,10H,3,9,11-14H2,1-2H3
InChIKeyRQBCSTOLCPVPNZ-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.14
Rot. Bonds4

About 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one

2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one (PubChem CID 53167263) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
PubChem CID53167263
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one
SMILESCCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O
InChIInChI=1S/C21H24N4O2S/c1-3-9-24-10-7-16-19(21(24)27)18(15(2)28-16)20(26)25-13-11-23(12-14-25)17-6-4-5-8-22-17/h4-8,10H,3,9,11-14H2,1-2H3
InChIKeyRQBCSTOLCPVPNZ-UHFFFAOYSA-N
XLogP3.14
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one with MolForge

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Related Compounds

5,6-dimethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 18148182
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile
CID 91895188
3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 46396103
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one
CID 3329389
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56814101
6-ethyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)-4H-[1,2]thiazolo[4,3-d]pyrimidine-5,7-dione
CID 53167635
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one (CID 53167263) is 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one is CCCn1ccc2sc(C)c(C(=O)N3CCN(c4ccccn4)CC3)c2c1=O.
What is the InChIKey of 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
The InChIKey is RQBCSTOLCPVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-9-24-10-7-16-19(21(24)27)18(15(2)28-16)20(26)25-13-11-23(12-14-25)17-6-4-5-8-22-17/h4-8,10H,3,9,11-14H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one?
2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one has a molecular weight of 396.52 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-3-(4-pyridin-2-ylpiperazine-1-carbonyl)thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 53167263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).