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

C26H30FN7O2 — CID 135202479

IUPAC5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc21
InChIInChI=1S/C26H30FN7O2/c1-16(2)34-21-13-17(5-7-22(21)36-26(34)35)24-19(27)14-28-25(31-24)30-23-8-6-18-15-33(12-11-32(3)4)10-9-20(18)29-23/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,28,29,30,31)
InChIKeyZTVLILFHZPMJCY-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.83
Rot. Bonds7

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

5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (PubChem CID 135202479) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
PubChem CID135202479
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one
SMILESCC(C)n1c(=O)oc2ccc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc21
InChIInChI=1S/C26H30FN7O2/c1-16(2)34-21-13-17(5-7-22(21)36-26(34)35)24-19(27)14-28-25(31-24)30-23-8-6-18-15-33(12-11-32(3)4)10-9-20(18)29-23/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,28,29,30,31)
InChIKeyZTVLILFHZPMJCY-UHFFFAOYSA-N
XLogP3.83
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-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-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The IUPAC name of 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one (CID 135202479) is 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is CC(C)n1c(=O)oc2ccc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc21.
What is the InChIKey of 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
The InChIKey is ZTVLILFHZPMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-16(2)34-21-13-17(5-7-22(21)36-26(34)35)24-19(27)14-28-25(31-24)30-23-8-6-18-15-33(12-11-32(3)4)10-9-20(18)29-23/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,28,29,30,31).
What are the key properties of 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one?
5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one has a molecular weight of 491.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[6-[2-(dimethylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]amino]-5-fluoropyrimidin-4-yl]-3-propan-2-yl-1,3-benzoxazol-2-one is sourced from PubChem (CID 135202479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).