8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one

C31H24F2N4O3 — CID 167610784

IUPAC8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(cc(-c6ccc(F)cc6)c4=O)CCC5)cc3F)c2nc1C
InChIInChI=1S/C31H24F2N4O3/c1-17-12-24-29(36-18(17)2)31(35-16-34-24)40-27-10-5-19(13-23(27)33)14-26(38)28-25-4-3-11-37(25)15-22(30(28)39)20-6-8-21(32)9-7-20/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3
InChIKeyKZZWAZWDLDAOAX-UHFFFAOYSA-N
MW538.55 g/mol
LogP5.91
Rot. Bonds6

About 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one

8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one (PubChem CID 167610784) has the molecular formula C31H24F2N4O3 and a molecular weight of 538.55 g/mol. Its IUPAC name is 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one.

Molecular Properties

Compound Name8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one
PubChem CID167610784
Molecular FormulaC31H24F2N4O3
Molecular Weight538.55 g/mol
Exact Mass538.18
IUPAC Name8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one
SMILESCc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(cc(-c6ccc(F)cc6)c4=O)CCC5)cc3F)c2nc1C
InChIInChI=1S/C31H24F2N4O3/c1-17-12-24-29(36-18(17)2)31(35-16-34-24)40-27-10-5-19(13-23(27)33)14-26(38)28-25-4-3-11-37(25)15-22(30(28)39)20-6-8-21(32)9-7-20/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3
InChIKeyKZZWAZWDLDAOAX-UHFFFAOYSA-N
XLogP5.91
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.55
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one with MolForge

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Related Compounds

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6,7,8,9-tetrahydroquinolizin-2-one
CID 167532366
3-[2-[3-fluoro-4-[6-methoxy-7-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-4-yl]oxyphenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
CID 167541865
3-[2-[3-fluoro-4-[(7-methoxy-6-methyl-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-1-pyridin-2-ylpyridin-4-one
CID 167631643
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-1-(2-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 159265292
1-(2,2-difluoroethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-(4-fluorophenyl)-2-methylpyridin-4-one
CID 167546149
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-4,5-dimethylpyridin-2-one
CID 167703742
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
CID 167699902
5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
CID 167641188
1-(difluoromethyl)-3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 167639336
3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluoro-3-methylphenyl)-2,6-dimethyl-1H-pyridin-4-one
CID 167632914
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
CID 159567255
3-(2,4-difluorophenyl)-5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-2,6-dimethyl-1H-pyridin-4-one
CID 167550633

Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one?
The IUPAC name of 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one (CID 167610784) is 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one.
What is the SMILES notation for 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one?
The canonical SMILES for 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one is Cc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(cc(-c6ccc(F)cc6)c4=O)CCC5)cc3F)c2nc1C.
What is the InChIKey of 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one?
The InChIKey is KZZWAZWDLDAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F2N4O3/c1-17-12-24-29(36-18(17)2)31(35-16-34-24)40-27-10-5-19(13-23(27)33)14-26(38)28-25-4-3-11-37(25)15-22(30(28)39)20-6-8-21(32)9-7-20/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3.
What are the key properties of 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one?
8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one has a molecular weight of 538.55 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-(6,7-dimethylpyrido[3,2-d]pyrimidin-4-yl)oxy-3-fluorophenyl]acetyl]-6-(4-fluorophenyl)-2,3-dihydro-1H-indolizin-7-one is sourced from PubChem (CID 167610784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).