1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione

C25H21ClF2N6O3 — CID 172538032

IUPAC1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCN(CC)c1cc2c(c(OC)n1)c(=O)n(-c1cnc3cc(F)ccn13)c(=O)n2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H21ClF2N6O3/c1-4-31(5-2)20-12-18-22(23(30-20)37-3)24(35)34(21-13-29-19-10-14(27)8-9-32(19)21)25(36)33(18)15-6-7-17(28)16(26)11-15/h6-13H,4-5H2,1-3H3
InChIKeyODCWEIQHDIOZBR-UHFFFAOYSA-N
MW526.93 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione

1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 172538032) has the molecular formula C25H21ClF2N6O3 and a molecular weight of 526.93 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID172538032
Molecular FormulaC25H21ClF2N6O3
Molecular Weight526.93 g/mol
Exact Mass526.13
IUPAC Name1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCN(CC)c1cc2c(c(OC)n1)c(=O)n(-c1cnc3cc(F)ccn13)c(=O)n2-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H21ClF2N6O3/c1-4-31(5-2)20-12-18-22(23(30-20)37-3)24(35)34(21-13-29-19-10-14(27)8-9-32(19)21)25(36)33(18)15-6-7-17(28)16(26)11-15/h6-13H,4-5H2,1-3H3
InChIKeyODCWEIQHDIOZBR-UHFFFAOYSA-N
XLogP3.97
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.93
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(3R)-1-[1-(3-chloro-4-fluorophenyl)-3-(6,7-difluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxy-2,4-dioxopyrido[4,3-d]pyrimidin-7-yl]pyrrolidine-3-carbonitrile
CID 172537872
3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[(3R)-3-hydroxypyrrolidin-1-yl]-5-methoxy-1-[(3,4,5-trifluorophenyl)methyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 172537968
1-(3-chloro-4-fluorophenyl)-7-(3,3-difluoropyrrolidin-1-yl)-5-methoxy-3-(5-methylpyridazin-3-yl)pyrido[4,3-d]pyrimidine-2,4-dione
CID 172538028
2-[5-(3-chloro-4-fluorophenyl)-6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,4-dioxopyrimidin-1-yl]acetonitrile
CID 176510616
2-[5-(3-chloro-4-fluorophenyl)-3-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2,4-dioxopyrimidin-1-yl]acetonitrile
CID 176510607
6-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-8-methoxy-2H-isoquinolin-1-one
CID 146275268
(7S)-3-(3-chloro-4-fluorophenyl)-7-ethyl-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 40636745
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
6-acetyl-4-(3-chloro-4-fluorophenyl)-2-methyl-1,2,4-triazine-3,5-dione
CID 118652697
5-[1-(3,4-difluorophenyl)-5-methoxy-2,4-dioxo-7-[(3R)-3-(trideuteriomethoxy)pyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-3-yl]pyridine-3-carbonitrile
CID 172538066
4-chloro-3-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methyl-2,4,5-trioxo-1-[(3,4,5-trifluorophenyl)methyl]pyrido[4,3-d]pyrimidin-7-yl]benzonitrile
CID 172537637
4-chloro-3-[5-methoxy-3-(5-methylpyridazin-3-yl)-2,4-dioxo-1-[(3,4,5-trifluorophenyl)methyl]pyrido[4,3-d]pyrimidin-7-yl]benzonitrile
CID 172537773

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione (CID 172538032) is 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione is CCN(CC)c1cc2c(c(OC)n1)c(=O)n(-c1cnc3cc(F)ccn13)c(=O)n2-c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is ODCWEIQHDIOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3/c1-4-31(5-2)20-12-18-22(23(30-20)37-3)24(35)34(21-13-29-19-10-14(27)8-9-32(19)21)25(36)33(18)15-6-7-17(28)16(26)11-15/h6-13H,4-5H2,1-3H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione?
1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 526.93 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-7-(diethylamino)-3-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methoxypyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 172538032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).