3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one

C21H19ClN4O3S2 — CID 172799176

IUPAC3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(-n2nc(C(=O)c3cccs3)cc2NCc2ccc(Cl)s2)c1=O
InChIInChI=1S/C21H19ClN4O3S2/c1-29-10-9-25-8-2-4-16(21(25)28)26-19(23-13-14-6-7-18(22)31-14)12-15(24-26)20(27)17-5-3-11-30-17/h2-8,11-12,23H,9-10,13H2,1H3
InChIKeyQPVHAWUZMGMFAC-UHFFFAOYSA-N
MW475.00 g/mol
LogP4.30
Rot. Bonds9

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 172799176) has the molecular formula C21H19ClN4O3S2 and a molecular weight of 475.00 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID172799176
Molecular FormulaC21H19ClN4O3S2
Molecular Weight475.00 g/mol
Exact Mass474.06
IUPAC Name3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCOCCn1cccc(-n2nc(C(=O)c3cccs3)cc2NCc2ccc(Cl)s2)c1=O
InChIInChI=1S/C21H19ClN4O3S2/c1-29-10-9-25-8-2-4-16(21(25)28)26-19(23-13-14-6-7-18(22)31-14)12-15(24-26)20(27)17-5-3-11-30-17/h2-8,11-12,23H,9-10,13H2,1H3
InChIKeyQPVHAWUZMGMFAC-UHFFFAOYSA-N
XLogP4.30
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.00
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(2,4-dimethoxybenzoyl)pyrazol-1-yl]-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 172729112
3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(4-morpholin-4-ylbenzoyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 172852338
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-methoxybenzoyl)pyrazol-3-yl]-1-(thiophen-2-ylmethyl)pyridin-2-one
CID 133081228
5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one
CID 118960323
3-[3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2,2-dimethylpropanoyl)pyrazol-3-yl]-2-oxo-1-pyridinyl]propanoyloxymethyl 2,2-dimethylpropanoate
CID 153394232
3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(3-methoxy-2,2-dimethylpropanoyl)pyrazol-3-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 133081187
3-[5-(benzylamino)-3-(furan-2-carbonyl)pyrazol-1-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 172830437
1-[(3-chlorophenyl)methyl]-3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-methoxybenzoyl)pyrazol-3-yl]pyridin-2-one
CID 133081108
6-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-1-(2-oxo-2-pyrimidin-4-ylethyl)-3-pyridin-4-ylpyridin-2-one
CID 118959485
3-[1-amino-5-[(5-chlorothiophen-2-yl)methyl]-4-(thiophene-2-carbonyl)pyrazol-3-yl]-1-(thiophen-2-ylmethyl)pyridin-2-one
CID 135334210
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108584631

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one (CID 172799176) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one is COCCn1cccc(-n2nc(C(=O)c3cccs3)cc2NCc2ccc(Cl)s2)c1=O.
What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is QPVHAWUZMGMFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S2/c1-29-10-9-25-8-2-4-16(21(25)28)26-19(23-13-14-6-7-18(22)31-14)12-15(24-26)20(27)17-5-3-11-30-17/h2-8,11-12,23H,9-10,13H2,1H3.
What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one?
3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 475.00 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-3-(thiophene-2-carbonyl)pyrazol-1-yl]-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 172799176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).