(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H26N4OS — CID 26125737

IUPAC(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)csc2C1
InChIInChI=1S/C20H26N4OS/c1-14-3-5-16-17(13-26-18(16)11-14)20(25)22-15-4-6-19(21-12-15)24-9-7-23(2)8-10-24/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyWXFWQSHEXCINQT-CQSZACIVSA-N
MW370.52 g/mol
LogP3.27
Rot. Bonds3

About (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 26125737) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID26125737
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESC[C@@H]1CCc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)csc2C1
InChIInChI=1S/C20H26N4OS/c1-14-3-5-16-17(13-26-18(16)11-14)20(25)22-15-4-6-19(21-12-15)24-9-7-23(2)8-10-24/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyWXFWQSHEXCINQT-CQSZACIVSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

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Related Compounds

(6S)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26125739
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18151192
(6R)-6-methyl-N-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 27233307
(6R)-6-methyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 94765302
(6S)-6-methyl-N-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 888666
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3413217
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-6-carboxamide
CID 136543255
(6S)-6-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 27492576
[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42022974
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4554734
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636

Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 26125737) is (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is C[C@@H]1CCc2c(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)csc2C1.
What is the InChIKey of (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is WXFWQSHEXCINQT-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14-3-5-16-17(13-26-18(16)11-14)20(25)22-15-4-6-19(21-12-15)24-9-7-23(2)8-10-24/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
(6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 26125737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).