6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid

C18H10ClF3N6O3 — CID 68903708

IUPAC6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid
SMILESO=C(O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cn[nH]c12
InChIInChI=1S/C18H10ClF3N6O3/c19-9-2-1-5-23-15(9)28-11(6-12(27-28)18(20,21)22)16(29)25-10-4-3-8-7-24-26-14(8)13(10)17(30)31/h1-7H,(H,24,26)(H,25,29)(H,30,31)
InChIKeyWAEIXRAQAJHGGV-UHFFFAOYSA-N
MW450.76 g/mol
LogP3.77
Rot. Bonds4

About 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid

6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid (PubChem CID 68903708) has the molecular formula C18H10ClF3N6O3 and a molecular weight of 450.76 g/mol. Its IUPAC name is 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid.

Molecular Properties

Compound Name6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid
PubChem CID68903708
Molecular FormulaC18H10ClF3N6O3
Molecular Weight450.76 g/mol
Exact Mass450.05
IUPAC Name6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid
SMILESO=C(O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cn[nH]c12
InChIInChI=1S/C18H10ClF3N6O3/c19-9-2-1-5-23-15(9)28-11(6-12(27-28)18(20,21)22)16(29)25-10-4-3-8-7-24-26-14(8)13(10)17(30)31/h1-7H,(H,24,26)(H,25,29)(H,30,31)
InChIKeyWAEIXRAQAJHGGV-UHFFFAOYSA-N
XLogP3.77
TPSA125.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.76
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid 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 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid?
The IUPAC name of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid (CID 68903708) is 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid.
What is the SMILES notation for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid?
The canonical SMILES for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid is O=C(O)c1c(NC(=O)c2cc(C(F)(F)F)nn2-c2ncccc2Cl)ccc2cn[nH]c12.
What is the InChIKey of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid?
The InChIKey is WAEIXRAQAJHGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N6O3/c19-9-2-1-5-23-15(9)28-11(6-12(27-28)18(20,21)22)16(29)25-10-4-3-8-7-24-26-14(8)13(10)17(30)31/h1-7H,(H,24,26)(H,25,29)(H,30,31).
What are the key properties of 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid?
6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid has a molecular weight of 450.76 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1H-indazole-7-carboxylic acid is sourced from PubChem (CID 68903708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).