2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid

C19H15F3N4O4 — CID 162731686

IUPAC2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C19H15F3N4O4/c1-10-14(7-23-16(17(10)29)18(30)24-8-15(27)28)11-6-25-26(9-11)13-4-2-12(3-5-13)19(20,21)22/h2-7,9,29H,8H2,1H3,(H,24,30)(H,27,28)
InChIKeyDMUZDJZYVYMGGW-UHFFFAOYSA-N
MW420.35 g/mol
LogP2.78
Rot. Bonds5

About 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 162731686) has the molecular formula C19H15F3N4O4 and a molecular weight of 420.35 g/mol. Its IUPAC name is 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID162731686
Molecular FormulaC19H15F3N4O4
Molecular Weight420.35 g/mol
Exact Mass420.10
IUPAC Name2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESCc1c(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cnc(C(=O)NCC(=O)O)c1O
InChIInChI=1S/C19H15F3N4O4/c1-10-14(7-23-16(17(10)29)18(30)24-8-15(27)28)11-6-25-26(9-11)13-4-2-12(3-5-13)19(20,21)22/h2-7,9,29H,8H2,1H3,(H,24,30)(H,27,28)
InChIKeyDMUZDJZYVYMGGW-UHFFFAOYSA-N
XLogP2.78
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid (CID 162731686) is 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid is Cc1c(-c2cnn(-c3ccc(C(F)(F)F)cc3)c2)cnc(C(=O)NCC(=O)O)c1O.
What is the InChIKey of 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is DMUZDJZYVYMGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O4/c1-10-14(7-23-16(17(10)29)18(30)24-8-15(27)28)11-6-25-26(9-11)13-4-2-12(3-5-13)19(20,21)22/h2-7,9,29H,8H2,1H3,(H,24,30)(H,27,28).
What are the key properties of 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 420.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-4-methyl-5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 162731686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).