4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide

C13H9Cl2N3OS — CID 137453812

IUPAC4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccc2[nH]ncc12)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H9Cl2N3OS/c14-9-4-11(20-12(9)15)13(19)16-5-7-2-1-3-10-8(7)6-17-18-10/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeyJIOFVTQPLJHCBL-UHFFFAOYSA-N
MW326.21 g/mol
LogP3.86
Rot. Bonds3

About 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide

4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 137453812) has the molecular formula C13H9Cl2N3OS and a molecular weight of 326.21 g/mol. Its IUPAC name is 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
PubChem CID137453812
Molecular FormulaC13H9Cl2N3OS
Molecular Weight326.21 g/mol
Exact Mass324.98
IUPAC Name4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1cccc2[nH]ncc12)c1cc(Cl)c(Cl)s1
InChIInChI=1S/C13H9Cl2N3OS/c14-9-4-11(20-12(9)15)13(19)16-5-7-2-1-3-10-8(7)6-17-18-10/h1-4,6H,5H2,(H,16,19)(H,17,18)
InChIKeyJIOFVTQPLJHCBL-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4,5-difluoro-N-(1H-indazol-4-ylmethyl)benzamide
CID 137453536
(2S)-2-[2-[2-chloro-4-(1H-indazol-4-ylmethylcarbamoyl)benzoyl]-2-(thiophene-2-carbonyl)hydrazinyl]propanoic acid
CID 68819713
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119
(2S)-2-[[2-chloro-4-[(1H-indazol-4-ylmethylamino)methyl]benzoyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid
CID 70070711
4,5-dichloro-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 110186920
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667
N-(1H-indazol-4-ylmethyl)aniline
CID 91506728
N-(3-hydroxypropyl)-4-[2-(1H-indazol-4-ylmethylamino)ethyl]benzamide
CID 172895585
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399257
N-[(2-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400849
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
1-(1H-indazol-4-ylmethyl)-3-N,5-N-dimethylpyrazole-3,5-dicarboxamide
CID 142418199

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide (CID 137453812) is 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide is O=C(NCc1cccc2[nH]ncc12)c1cc(Cl)c(Cl)s1.
What is the InChIKey of 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is JIOFVTQPLJHCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3OS/c14-9-4-11(20-12(9)15)13(19)16-5-7-2-1-3-10-8(7)6-17-18-10/h1-4,6H,5H2,(H,16,19)(H,17,18).
What are the key properties of 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide?
4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 326.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-(1H-indazol-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 137453812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).