2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one

C38H22F8N8O2S2 — CID 169108219

IUPAC2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one
SMILESNc1ncnc2ccc(-c3nc(-c4cc(=O)c5ccc(-c6cccnc6Oc6ccc(S(F)(F)(F)(F)F)cc6)nc5[nH]4)cnc3Sc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C38H22F8N8O2S2/c39-38(40,41)21-4-8-23(9-5-21)57-37-33(20-3-13-28-27(16-20)34(47)51-19-50-28)52-31(18-49-37)30-17-32(55)26-12-14-29(53-35(26)54-30)25-2-1-15-48-36(25)56-22-6-10-24(11-7-22)58(42,43,44,45)46/h1-19H,(H2,47,50,51)(H,53,54,55)
InChIKeyQHOWOVOOEKKXDN-UHFFFAOYSA-N
MW838.77 g/mol
LogP11.25
Rot. Bonds8

About 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one

2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one (PubChem CID 169108219) has the molecular formula C38H22F8N8O2S2 and a molecular weight of 838.77 g/mol. Its IUPAC name is 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one
PubChem CID169108219
Molecular FormulaC38H22F8N8O2S2
Molecular Weight838.77 g/mol
Exact Mass838.12
IUPAC Name2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one
SMILESNc1ncnc2ccc(-c3nc(-c4cc(=O)c5ccc(-c6cccnc6Oc6ccc(S(F)(F)(F)(F)F)cc6)nc5[nH]4)cnc3Sc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C38H22F8N8O2S2/c39-38(40,41)21-4-8-23(9-5-21)57-37-33(20-3-13-28-27(16-20)34(47)51-19-50-28)52-31(18-49-37)30-17-32(55)26-12-14-29(53-35(26)54-30)25-2-1-15-48-36(25)56-22-6-10-24(11-7-22)58(42,43,44,45)46/h1-19H,(H2,47,50,51)(H,53,54,55)
InChIKeyQHOWOVOOEKKXDN-UHFFFAOYSA-N
XLogP11.25
TPSA145.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.77
LogP ≤ 511.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one (CID 169108219) is 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one is Nc1ncnc2ccc(-c3nc(-c4cc(=O)c5ccc(-c6cccnc6Oc6ccc(S(F)(F)(F)(F)F)cc6)nc5[nH]4)cnc3Sc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one?
The InChIKey is QHOWOVOOEKKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22F8N8O2S2/c39-38(40,41)21-4-8-23(9-5-21)57-37-33(20-3-13-28-27(16-20)34(47)51-19-50-28)52-31(18-49-37)30-17-32(55)26-12-14-29(53-35(26)54-30)25-2-1-15-48-36(25)56-22-6-10-24(11-7-22)58(42,43,44,45)46/h1-19H,(H2,47,50,51)(H,53,54,55).
What are the key properties of 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one?
2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one has a molecular weight of 838.77 g/mol, XLogP of 11.25, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-aminoquinazolin-6-yl)-5-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-yl]-7-[2-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-3-pyridinyl]-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 169108219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).