7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

C25H26F2N6O5 — CID 91570912

IUPAC7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(N5CCN(C)CC5)c(F)cc4o3)NC(O)NC1=O)C2
InChIInChI=1S/C25H26F2N6O5/c1-31-5-7-32(8-6-31)21-14(26)9-17-15(28-21)10-18(38-17)25(23(35)29-24(36)30-25)12-33-11-13-3-4-16(37-2)20(27)19(13)22(33)34/h3-4,9-10,24,30,36H,5-8,11-12H2,1-2H3,(H,29,35)
InChIKeyKKCOKBFZJCUNPM-UHFFFAOYSA-N
MW528.52 g/mol
LogP0.71
Rot. Bonds5

About 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one

7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (PubChem CID 91570912) has the molecular formula C25H26F2N6O5 and a molecular weight of 528.52 g/mol. Its IUPAC name is 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.

Molecular Properties

Compound Name7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
PubChem CID91570912
Molecular FormulaC25H26F2N6O5
Molecular Weight528.52 g/mol
Exact Mass528.19
IUPAC Name7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one
SMILESCOc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(N5CCN(C)CC5)c(F)cc4o3)NC(O)NC1=O)C2
InChIInChI=1S/C25H26F2N6O5/c1-31-5-7-32(8-6-31)21-14(26)9-17-15(28-21)10-18(38-17)25(23(35)29-24(36)30-25)12-33-11-13-3-4-16(37-2)20(27)19(13)22(33)34/h3-4,9-10,24,30,36H,5-8,11-12H2,1-2H3,(H,29,35)
InChIKeyKKCOKBFZJCUNPM-UHFFFAOYSA-N
XLogP0.71
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.52
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[5-(4-ethylpiperazin-1-yl)-6-fluorofuro[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053894
(5S)-5-(5-chloro-6-fluorofuro[3,2-b]pyridin-2-yl)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46200284
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[6-fluoro-5-(1,2,3,6-tetrahydropyridin-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200283
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-propan-2-ylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46199504
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-methyl-3,5-dioxopyrrolidin-2-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054057
methyl 4-[6-fluoro-2-[(4S)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]butanoate
CID 58053976
(5S)-5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(4-fluoro-3-oxo-1,2-dihydrofuro[3,2-e]isoindol-7-yl)imidazolidine-2,4-dione
CID 58054028
5-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1,3,5-trimethylpyrazol-4-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403770
(3R)-3-[5-(4,4-dimethoxypiperidin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
CID 58053231
(5S)-5-[(8-fluoro-7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(5-methylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143989773
tert-butyl 4-[6-fluoro-2-[4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58053635
5-[6-fluoro-2-[(4R)-4-[(4-fluoro-5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]-1-benzofuran-5-yl]-5-methyl-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 161063506

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The IUPAC name of 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one (CID 91570912) is 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one.
What is the SMILES notation for 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The canonical SMILES for 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is COc1ccc2c(c1F)C(=O)N(CC1(c3cc4nc(N5CCN(C)CC5)c(F)cc4o3)NC(O)NC1=O)C2.
What is the InChIKey of 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
The InChIKey is KKCOKBFZJCUNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N6O5/c1-31-5-7-32(8-6-31)21-14(26)9-17-15(28-21)10-18(38-17)25(23(35)29-24(36)30-25)12-33-11-13-3-4-16(37-2)20(27)19(13)22(33)34/h3-4,9-10,24,30,36H,5-8,11-12H2,1-2H3,(H,29,35).
What are the key properties of 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one?
7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one has a molecular weight of 528.52 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-[[4-[6-fluoro-5-(4-methylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-2-hydroxy-5-oxoimidazolidin-4-yl]methyl]-6-methoxy-3H-isoindol-1-one is sourced from PubChem (CID 91570912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).