5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide

C18H14ClF2N3O2S — CID 164641204

IUPAC5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc(Cn2cc(Cl)cn2)s1
InChIInChI=1S/C18H14ClF2N3O2S/c19-11-6-22-24(7-11)8-14-1-2-16(27-14)18(25)23-13-4-10-3-12(20)5-15(21)17(10)26-9-13/h1-3,5-7,13H,4,8-9H2,(H,23,25)/t13-/m0/s1
InChIKeyVKCPXURAHHSLEF-ZDUSSCGKSA-N
MW409.85 g/mol
LogP3.66
Rot. Bonds4

About 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide

5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide (PubChem CID 164641204) has the molecular formula C18H14ClF2N3O2S and a molecular weight of 409.85 g/mol. Its IUPAC name is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide
PubChem CID164641204
Molecular FormulaC18H14ClF2N3O2S
Molecular Weight409.85 g/mol
Exact Mass409.05
IUPAC Name5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc(Cn2cc(Cl)cn2)s1
InChIInChI=1S/C18H14ClF2N3O2S/c19-11-6-22-24(7-11)8-14-1-2-16(27-14)18(25)23-13-4-10-3-12(20)5-15(21)17(10)26-9-13/h1-3,5-7,13H,4,8-9H2,(H,23,25)/t13-/m0/s1
InChIKeyVKCPXURAHHSLEF-ZDUSSCGKSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide (CID 164641204) is 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1COc2c(F)cc(F)cc2C1)c1ccc(Cn2cc(Cl)cn2)s1.
What is the InChIKey of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide?
The InChIKey is VKCPXURAHHSLEF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2S/c19-11-6-22-24(7-11)8-14-1-2-16(27-14)18(25)23-13-4-10-3-12(20)5-15(21)17(10)26-9-13/h1-3,5-7,13H,4,8-9H2,(H,23,25)/t13-/m0/s1.
What are the key properties of 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide?
5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide has a molecular weight of 409.85 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloropyrazol-1-yl)methyl]-N-[(3S)-6,8-difluoro-3,4-dihydro-2H-chromen-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 164641204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).