7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid

C21H15F3N4O3 — CID 126567048

IUPAC7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(-c3ccc(NCc4cccc(OC(F)(F)F)c4)nc3)cccc12
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)31-14-4-1-3-12(9-14)10-25-17-8-7-13(11-26-17)15-5-2-6-16-18(15)27-28-19(16)20(29)30/h1-9,11H,10H2,(H,25,26)(H,27,28)(H,29,30)
InChIKeyBJQBXJGEOWTCBG-UHFFFAOYSA-N
MW428.37 g/mol
LogP4.83
Rot. Bonds6

About 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid

7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid (PubChem CID 126567048) has the molecular formula C21H15F3N4O3 and a molecular weight of 428.37 g/mol. Its IUPAC name is 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid
PubChem CID126567048
Molecular FormulaC21H15F3N4O3
Molecular Weight428.37 g/mol
Exact Mass428.11
IUPAC Name7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2c(-c3ccc(NCc4cccc(OC(F)(F)F)c4)nc3)cccc12
InChIInChI=1S/C21H15F3N4O3/c22-21(23,24)31-14-4-1-3-12(9-14)10-25-17-8-7-13(11-26-17)15-5-2-6-16-18(15)27-28-19(16)20(29)30/h1-9,11H,10H2,(H,25,26)(H,27,28)(H,29,30)
InChIKeyBJQBXJGEOWTCBG-UHFFFAOYSA-N
XLogP4.83
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]benzoate
CID 126598523
1-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566979
3-[2,6-dimethoxy-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 126566961
5-[4-chloro-6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-methoxybenzoic acid
CID 126598535
2-[3-cyano-2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]-2-methylpropanoic acid
CID 126567028
2-[(3R)-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 126599009
trans-(1R,2R)-2-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]phenyl]cyclopropane-1-carboxylic acid
CID 126566954
2-[3-methoxy-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylic acid
CID 126567038
trans-ethyl (1S,2S)-2-[3-methyl-6-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2-pyridinyl]cyclopropane-1-carboxylate
CID 126598510
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825
6-oxo-3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-pyridazine-5-carboxamide
CID 59017983
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 68701338

Frequently Asked Questions

What is the IUPAC name of 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid?
The IUPAC name of 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid (CID 126567048) is 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid.
What is the SMILES notation for 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid?
The canonical SMILES for 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid is O=C(O)c1[nH]nc2c(-c3ccc(NCc4cccc(OC(F)(F)F)c4)nc3)cccc12.
What is the InChIKey of 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid?
The InChIKey is BJQBXJGEOWTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3/c22-21(23,24)31-14-4-1-3-12(9-14)10-25-17-8-7-13(11-26-17)15-5-2-6-16-18(15)27-28-19(16)20(29)30/h1-9,11H,10H2,(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid?
7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid has a molecular weight of 428.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[[3-(trifluoromethoxy)phenyl]methylamino]-3-pyridinyl]-2H-indazole-3-carboxylic acid is sourced from PubChem (CID 126567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).