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

C19H11ClF3N7O2 — CID 58645806

IUPAC5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C19H11ClF3N7O2/c1-8-2-12(30-18-26-5-10(6-27-18)19(21,22)23)15-16(28-8)29-13(7-25-15)14-11(20)3-9(4-24-14)17(31)32/h2-7H,1H3,(H,31,32)(H,26,27,28,29,30)
InChIKeyIGPHUKCQBIOPFR-UHFFFAOYSA-N
MW461.79 g/mol
LogP4.30
Rot. Bonds4

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

5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid (PubChem CID 58645806) has the molecular formula C19H11ClF3N7O2 and a molecular weight of 461.79 g/mol. Its IUPAC name is 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
PubChem CID58645806
Molecular FormulaC19H11ClF3N7O2
Molecular Weight461.79 g/mol
Exact Mass461.06
IUPAC Name5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid
SMILESCc1cc(Nc2ncc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1
InChIInChI=1S/C19H11ClF3N7O2/c1-8-2-12(30-18-26-5-10(6-27-18)19(21,22)23)15-16(28-8)29-13(7-25-15)14-11(20)3-9(4-24-14)17(31)32/h2-7H,1H3,(H,31,32)(H,26,27,28,29,30)
InChIKeyIGPHUKCQBIOPFR-UHFFFAOYSA-N
XLogP4.30
TPSA126.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.79
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid (CID 58645806) is 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid is Cc1cc(Nc2ncc(C(F)(F)F)cn2)c2ncc(-c3ncc(C(=O)O)cc3Cl)nc2n1.
What is the InChIKey of 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
The InChIKey is IGPHUKCQBIOPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N7O2/c1-8-2-12(30-18-26-5-10(6-27-18)19(21,22)23)15-16(28-8)29-13(7-25-15)14-11(20)3-9(4-24-14)17(31)32/h2-7H,1H3,(H,31,32)(H,26,27,28,29,30).
What are the key properties of 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid?
5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 461.79 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[6-methyl-8-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrido[2,3-b]pyrazin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 58645806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).