6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

C22H16F6N6O2 — CID 58645817

IUPAC6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3ncc(OC)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C22H16F6N6O2/c1-35-10-12-5-15(33-17-4-3-11(7-29-17)21(23,24)25)19-20(32-12)34-16(9-31-19)18-14(22(26,27)28)6-13(36-2)8-30-18/h3-9H,10H2,1-2H3,(H,29,32,33,34)
InChIKeyBBOWHGHJVJMOOM-UHFFFAOYSA-N
MW510.40 g/mol
LogP5.42
Rot. Bonds6

About 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine

6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 58645817) has the molecular formula C22H16F6N6O2 and a molecular weight of 510.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID58645817
Molecular FormulaC22H16F6N6O2
Molecular Weight510.40 g/mol
Exact Mass510.12
IUPAC Name6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCOCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3ncc(OC)cc3C(F)(F)F)nc2n1
InChIInChI=1S/C22H16F6N6O2/c1-35-10-12-5-15(33-17-4-3-11(7-29-17)21(23,24)25)19-20(32-12)34-16(9-31-19)18-14(22(26,27)28)6-13(36-2)8-30-18/h3-9H,10H2,1-2H3,(H,29,32,33,34)
InChIKeyBBOWHGHJVJMOOM-UHFFFAOYSA-N
XLogP5.42
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine (CID 58645817) is 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is COCc1cc(Nc2ccc(C(F)(F)F)cn2)c2ncc(-c3ncc(OC)cc3C(F)(F)F)nc2n1.
What is the InChIKey of 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is BBOWHGHJVJMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N6O2/c1-35-10-12-5-15(33-17-4-3-11(7-29-17)21(23,24)25)19-20(32-12)34-16(9-31-19)18-14(22(26,27)28)6-13(36-2)8-30-18/h3-9H,10H2,1-2H3,(H,29,32,33,34).
What are the key properties of 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine?
6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 510.40 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-3-[5-methoxy-3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 58645817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).