5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid

C17H11Cl2F2N3O4 — CID 167747989

IUPAC5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C17H11Cl2F2N3O4/c18-9-3-8(14(11(19)5-9)28-17(20)21)6-22-15(25)7-1-2-12-10(4-7)13(16(26)27)24-23-12/h1-5,17H,6H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyLVOZINFNIZZORZ-UHFFFAOYSA-N
MW430.19 g/mol
LogP4.10
Rot. Bonds6

About 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid

5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid (PubChem CID 167747989) has the molecular formula C17H11Cl2F2N3O4 and a molecular weight of 430.19 g/mol. Its IUPAC name is 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid
PubChem CID167747989
Molecular FormulaC17H11Cl2F2N3O4
Molecular Weight430.19 g/mol
Exact Mass429.01
IUPAC Name5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid
SMILESO=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C17H11Cl2F2N3O4/c18-9-3-8(14(11(19)5-9)28-17(20)21)6-22-15(25)7-1-2-12-10(4-7)13(16(26)27)24-23-12/h1-5,17H,6H2,(H,22,25)(H,23,24)(H,26,27)
InChIKeyLVOZINFNIZZORZ-UHFFFAOYSA-N
XLogP4.10
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-methoxyphenyl)methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 154793828
2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977003
3-(ethylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 70896193
5-(difluoromethoxy)-1H-indazole-3-carboxylic acid;5-(difluoromethoxy)-3-iodo-2H-indazole
CID 157399877
3-(methylcarbamoyl)-1H-indazole-5-carboxylic acid
CID 70896144
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859177
N-[(4-chlorophenyl)methyl]-3-(4-methylpiperazin-1-yl)-1H-indazole-5-carboxamide
CID 24988747
N-[(5-amino-1H-pyrazol-4-yl)methyl]-3,4-dichlorobenzamide
CID 79530307
2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
3-chloro-4-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 81421879
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612438
5-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 61140575

Frequently Asked Questions

What is the IUPAC name of 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid (CID 167747989) is 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid is O=C(NCc1cc(Cl)cc(Cl)c1OC(F)F)c1ccc2[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid?
The InChIKey is LVOZINFNIZZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O4/c18-9-3-8(14(11(19)5-9)28-17(20)21)6-22-15(25)7-1-2-12-10(4-7)13(16(26)27)24-23-12/h1-5,17H,6H2,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid?
5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid has a molecular weight of 430.19 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 167747989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).