2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

C26H25F3N4O3S — CID 142991371

IUPAC2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)c2ccc(-c3ncccc3CC(F)(F)F)nc2n1
InChIInChI=1S/C26H25F3N4O3S/c1-16(2)37(34,35)20-8-6-18(7-9-20)31-23-13-19(15-36-3)32-25-21(23)10-11-22(33-25)24-17(5-4-12-30-24)14-26(27,28)29/h4-13,16H,14-15H2,1-3H3,(H,31,32,33)
InChIKeyQTRTXZKAWYKXKF-UHFFFAOYSA-N
MW530.57 g/mol
LogP5.87
Rot. Bonds8

About 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine

2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 142991371) has the molecular formula C26H25F3N4O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID142991371
Molecular FormulaC26H25F3N4O3S
Molecular Weight530.57 g/mol
Exact Mass530.16
IUPAC Name2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine
SMILESCOCc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)c2ccc(-c3ncccc3CC(F)(F)F)nc2n1
InChIInChI=1S/C26H25F3N4O3S/c1-16(2)37(34,35)20-8-6-18(7-9-20)31-23-13-19(15-36-3)32-25-21(23)10-11-22(33-25)24-17(5-4-12-30-24)14-26(27,28)29/h4-13,16H,14-15H2,1-3H3,(H,31,32,33)
InChIKeyQTRTXZKAWYKXKF-UHFFFAOYSA-N
XLogP5.87
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.57
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine (CID 142991371) is 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is COCc1cc(Nc2ccc(S(=O)(=O)C(C)C)cc2)c2ccc(-c3ncccc3CC(F)(F)F)nc2n1.
What is the InChIKey of 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is QTRTXZKAWYKXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O3S/c1-16(2)37(34,35)20-8-6-18(7-9-20)31-23-13-19(15-36-3)32-25-21(23)10-11-22(33-25)24-17(5-4-12-30-24)14-26(27,28)29/h4-13,16H,14-15H2,1-3H3,(H,31,32,33).
What are the key properties of 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine?
2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 530.57 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(4-propan-2-ylsulfonylphenyl)-7-[3-(2,2,2-trifluoroethyl)-2-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 142991371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).