5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid

C20H13ClF3N7O3 — CID 58645595

IUPAC5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C20H13ClF3N7O3/c1-34-8-10-3-12(30-15-7-25-14(6-26-15)20(22,23)24)17-18(29-10)31-13(5-28-17)16-11(21)2-9(4-27-16)19(32)33/h2-7H,8H2,1H3,(H,32,33)(H,26,29,30,31)
InChIKeyYSHHBWNGOOENHC-UHFFFAOYSA-N
MW491.82 g/mol
LogP4.14
Rot. Bonds6

About 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid

5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid (PubChem CID 58645595) has the molecular formula C20H13ClF3N7O3 and a molecular weight of 491.82 g/mol. Its IUPAC name is 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
PubChem CID58645595
Molecular FormulaC20H13ClF3N7O3
Molecular Weight491.82 g/mol
Exact Mass491.07
IUPAC Name5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
SMILESCOCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C20H13ClF3N7O3/c1-34-8-10-3-12(30-15-7-25-14(6-26-15)20(22,23)24)17-18(29-10)31-13(5-28-17)16-11(21)2-9(4-27-16)19(32)33/h2-7H,8H2,1H3,(H,32,33)(H,26,29,30,31)
InChIKeyYSHHBWNGOOENHC-UHFFFAOYSA-N
XLogP4.14
TPSA135.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid (CID 58645595) is 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid is COCc1cc(Nc2cnc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1.
What is the InChIKey of 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The InChIKey is YSHHBWNGOOENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N7O3/c1-34-8-10-3-12(30-15-7-25-14(6-26-15)20(22,23)24)17-18(29-10)31-13(5-28-17)16-11(21)2-9(4-27-16)19(32)33/h2-7H,8H2,1H3,(H,32,33)(H,26,29,30,31).
What are the key properties of 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 491.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-(methoxymethyl)-8-[[5-(trifluoromethyl)pyrazin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58645595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).