5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

C25H28FN7O2 — CID 135202465

IUPAC5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCNCCN1CCc2nc(Nc3ncc(F)c(-c4ccc5oc(=O)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C25H28FN7O2/c1-15(2)33-20-12-16(4-6-21(20)35-25(33)34)23-18(26)13-28-24(31-23)30-22-7-5-17-14-32(11-9-27-3)10-8-19(17)29-22/h4-7,12-13,15,27H,8-11,14H2,1-3H3,(H,28,29,30,31)
InChIKeyNSWXMCUHELIVTR-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.49
Rot. Bonds7

About 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one

5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 135202465) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID135202465
Molecular FormulaC25H28FN7O2
Molecular Weight477.54 g/mol
Exact Mass477.23
IUPAC Name5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCNCCN1CCc2nc(Nc3ncc(F)c(-c4ccc5oc(=O)n(C(C)C)c5c4)n3)ccc2C1
InChIInChI=1S/C25H28FN7O2/c1-15(2)33-20-12-16(4-6-21(20)35-25(33)34)23-18(26)13-28-24(31-23)30-22-7-5-17-14-32(11-9-27-3)10-8-19(17)29-22/h4-7,12-13,15,27H,8-11,14H2,1-3H3,(H,28,29,30,31)
InChIKeyNSWXMCUHELIVTR-UHFFFAOYSA-N
XLogP3.49
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 135202465) is 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is CNCCN1CCc2nc(Nc3ncc(F)c(-c4ccc5oc(=O)n(C(C)C)c5c4)n3)ccc2C1.
What is the InChIKey of 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is NSWXMCUHELIVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-15(2)33-20-12-16(4-6-21(20)35-25(33)34)23-18(26)13-28-24(31-23)30-22-7-5-17-14-32(11-9-27-3)10-8-19(17)29-22/h4-7,12-13,15,27H,8-11,14H2,1-3H3,(H,28,29,30,31).
What are the key properties of 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 477.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-[[6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]pyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 135202465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).