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

C31H26F2N4O5 — CID 159265292

IUPAC3-[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
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(n(-c6ccccc6F)c4=O)CCCC5)cc3F)c2cc1OC
InChIInChI=1S/C31H26F2N4O5/c1-40-27-15-19-22(16-28(27)41-2)34-17-35-30(19)42-26-11-10-18(13-21(26)33)14-25(38)29-24-9-5-6-12-36(24)37(31(29)39)23-8-4-3-7-20(23)32/h3-4,7-8,10-11,13,15-17H,5-6,9,12,14H2,1-2H3
InChIKeyKXADJBQXMZMOPR-UHFFFAOYSA-N
MW572.57 g/mol
LogP5.43
Rot. Bonds8

About 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

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 (PubChem CID 159265292) has the molecular formula C31H26F2N4O5 and a molecular weight of 572.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159265292
Molecular FormulaC31H26F2N4O5
Molecular Weight572.57 g/mol
Exact Mass572.19
IUPAC Name3-[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
SMILESCOc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(n(-c6ccccc6F)c4=O)CCCC5)cc3F)c2cc1OC
InChIInChI=1S/C31H26F2N4O5/c1-40-27-15-19-22(16-28(27)41-2)34-17-35-30(19)42-26-11-10-18(13-21(26)33)14-25(38)29-24-9-5-6-12-36(24)37(31(29)39)23-8-4-3-7-20(23)32/h3-4,7-8,10-11,13,15-17H,5-6,9,12,14H2,1-2H3
InChIKeyKXADJBQXMZMOPR-UHFFFAOYSA-N
XLogP5.43
TPSA97.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.57
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

3-[2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-methylphenyl]acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158942229
1-(2,5-difluorophenyl)-N-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 150526455
3-[2-(3-fluoro-4-quinolin-4-yloxyphenyl)acetyl]-1-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-one
CID 158614187
4-[4-(6,7-dimethoxyquinazolin-4-yl)oxynaphthalen-1-yl]-1-(2-fluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 175856658
N-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-chlorophenyl]-1-(2,5-difluorophenyl)-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 151434188
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-ethyl-1,2-dimethylquinolin-4-one
CID 159567255
1-(2,5-difluorophenyl)-N-[3-fluoro-4-(2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-yloxy)phenyl]-2-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 166661571
2-[4-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]oxy-3-fluorophenyl]acetic acid
CID 66907480
3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-1H-[1,3]thiazeto[3,2-a]quinolin-4-one
CID 158271837
7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-3-[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-fluorophenyl]acetyl]-6-fluoro-1,8-naphthyridin-4-one
CID 158468661
4-[2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]acetyl]-5-[[ethyl(methyl)amino]methyl]-1-methyl-2-phenylpyrazol-3-one
CID 58268803
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2ncnc(Oc3ccc(CC(=O)c4c5n(n(-c6ccccc6F)c4=O)CCCC5)cc3F)c2cc1OC.
What is the InChIKey of 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?
The InChIKey is KXADJBQXMZMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26F2N4O5/c1-40-27-15-19-22(16-28(27)41-2)34-17-35-30(19)42-26-11-10-18(13-21(26)33)14-25(38)29-24-9-5-6-12-36(24)37(31(29)39)23-8-4-3-7-20(23)32/h3-4,7-8,10-11,13,15-17H,5-6,9,12,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 572.57 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159265292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).