3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one

C35H37FN8O3 — CID 170344267

IUPAC3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N2CCOC2=O)ccc1-c1ccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC(N)CF)C5=O)n(CC3CC3)c2n1
InChIInChI=1S/C35H37FN8O3/c1-3-26-24(7-9-31(38-26)43-12-13-47-35(43)46)27-8-6-22-15-30(44(32(22)39-27)18-20-4-5-20)33-40-28-16-25-21(14-29(28)41(33)2)10-11-42(34(25)45)19-23(37)17-36/h6-9,14-16,20,23H,3-5,10-13,17-19,37H2,1-2H3
InChIKeyGLWBCBFCDMHPMP-UHFFFAOYSA-N
MW636.73 g/mol
LogP4.88
Rot. Bonds9

About 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one

3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 170344267) has the molecular formula C35H37FN8O3 and a molecular weight of 636.73 g/mol. Its IUPAC name is 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID170344267
Molecular FormulaC35H37FN8O3
Molecular Weight636.73 g/mol
Exact Mass636.30
IUPAC Name3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCCc1nc(N2CCOC2=O)ccc1-c1ccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC(N)CF)C5=O)n(CC3CC3)c2n1
InChIInChI=1S/C35H37FN8O3/c1-3-26-24(7-9-31(38-26)43-12-13-47-35(43)46)27-8-6-22-15-30(44(32(22)39-27)18-20-4-5-20)33-40-28-16-25-21(14-29(28)41(33)2)10-11-42(34(25)45)19-23(37)17-36/h6-9,14-16,20,23H,3-5,10-13,17-19,37H2,1-2H3
InChIKeyGLWBCBFCDMHPMP-UHFFFAOYSA-N
XLogP4.88
TPSA124.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one (CID 170344267) is 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one is CCc1nc(N2CCOC2=O)ccc1-c1ccc2cc(-c3nc4cc5c(cc4n3C)CCN(CC(N)CF)C5=O)n(CC3CC3)c2n1.
What is the InChIKey of 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is GLWBCBFCDMHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN8O3/c1-3-26-24(7-9-31(38-26)43-12-13-47-35(43)46)27-8-6-22-15-30(44(32(22)39-27)18-20-4-5-20)33-40-28-16-25-21(14-29(28)41(33)2)10-11-42(34(25)45)19-23(37)17-36/h6-9,14-16,20,23H,3-5,10-13,17-19,37H2,1-2H3.
What are the key properties of 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one?
3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 636.73 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[6-(2-amino-3-fluoropropyl)-1-methyl-5-oxo-7,8-dihydroimidazo[4,5-g]isoquinolin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-6-ethyl-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170344267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).