4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide

C23H30N4O2S — CID 56518355

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C23H30N4O2S/c1-25-11-13-26(14-12-25)20-5-3-2-4-18(20)16-24-22(28)6-7-23(29)27-10-8-21-19(17-27)9-15-30-21/h2-5,9,15H,6-8,10-14,16-17H2,1H3,(H,24,28)
InChIKeyYKGYTNUHBORHEP-UHFFFAOYSA-N
MW426.59 g/mol
LogP2.48
Rot. Bonds6

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide (PubChem CID 56518355) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
PubChem CID56518355
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCC(=O)N2CCc3sccc3C2)CC1
InChIInChI=1S/C23H30N4O2S/c1-25-11-13-26(14-12-25)20-5-3-2-4-18(20)16-24-22(28)6-7-23(29)27-10-8-21-19(17-27)9-15-30-21/h2-5,9,15H,6-8,10-14,16-17H2,1H3,(H,24,28)
InChIKeyYKGYTNUHBORHEP-UHFFFAOYSA-N
XLogP2.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-oxobutanamide
CID 55873217
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxobutanamide
CID 55871262
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxobutanamide
CID 55872768
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(3-phenothiazin-10-ylpropyl)butanamide
CID 55909325
N-[(3-chlorophenyl)methyl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 55884421
N-(2-aminoethyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide
CID 119384096
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-4-(2-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111133799
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-(3-aminopropyl)-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanamide;hydrochloride
CID 119407293
(2S)-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 119372661
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 52694536
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 51121033

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide (CID 56518355) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide is CN1CCN(c2ccccc2CNC(=O)CCC(=O)N2CCc3sccc3C2)CC1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide?
The InChIKey is YKGYTNUHBORHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-25-11-13-26(14-12-25)20-5-3-2-4-18(20)16-24-22(28)6-7-23(29)27-10-8-21-19(17-27)9-15-30-21/h2-5,9,15H,6-8,10-14,16-17H2,1H3,(H,24,28).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide has a molecular weight of 426.59 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide is sourced from PubChem (CID 56518355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).