2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid

C17H13F3N4O3 — CID 163409238

IUPAC2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid
SMILESCOc1ccc(CNc2nc3cc(C(F)(F)F)cnc3nc2C(=O)O)cc1
InChIInChI=1S/C17H13F3N4O3/c1-27-11-4-2-9(3-5-11)7-21-15-13(16(25)26)24-14-12(23-15)6-10(8-22-14)17(18,19)20/h2-6,8H,7H2,1H3,(H,21,23)(H,25,26)
InChIKeyPREJRFVRSFPECH-UHFFFAOYSA-N
MW378.31 g/mol
LogP3.36
Rot. Bonds5

About 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid

2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid (PubChem CID 163409238) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid
PubChem CID163409238
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid
SMILESCOc1ccc(CNc2nc3cc(C(F)(F)F)cnc3nc2C(=O)O)cc1
InChIInChI=1S/C17H13F3N4O3/c1-27-11-4-2-9(3-5-11)7-21-15-13(16(25)26)24-14-12(23-15)6-10(8-22-14)17(18,19)20/h2-6,8H,7H2,1H3,(H,21,23)(H,25,26)
InChIKeyPREJRFVRSFPECH-UHFFFAOYSA-N
XLogP3.36
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid (CID 163409238) is 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid is COc1ccc(CNc2nc3cc(C(F)(F)F)cnc3nc2C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid?
The InChIKey is PREJRFVRSFPECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c1-27-11-4-2-9(3-5-11)7-21-15-13(16(25)26)24-14-12(23-15)6-10(8-22-14)17(18,19)20/h2-6,8H,7H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid?
2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid has a molecular weight of 378.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-7-(trifluoromethyl)pyrido[2,3-b]pyrazine-3-carboxylic acid is sourced from PubChem (CID 163409238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).