3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one

C28H24FN3O4S — CID 58207662

IUPAC3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C28H24FN3O4S/c29-21-13-18(12-20(33)11-17-1-2-17)4-6-24(21)36-25-7-8-30-23-14-26(37-27(23)25)22-5-3-19(15-31-22)16-32-9-10-35-28(32)34/h3-8,13-15,17H,1-2,9-12,16H2
InChIKeyNCCOHBKLPQDXLQ-UHFFFAOYSA-N
MW517.58 g/mol
LogP6.15
Rot. Bonds9

About 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one

3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 58207662) has the molecular formula C28H24FN3O4S and a molecular weight of 517.58 g/mol. Its IUPAC name is 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
PubChem CID58207662
Molecular FormulaC28H24FN3O4S
Molecular Weight517.58 g/mol
Exact Mass517.15
IUPAC Name3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CC1
InChIInChI=1S/C28H24FN3O4S/c29-21-13-18(12-20(33)11-17-1-2-17)4-6-24(21)36-25-7-8-30-23-14-26(37-27(23)25)22-5-3-19(15-31-22)16-32-9-10-35-28(32)34/h3-8,13-15,17H,1-2,9-12,16H2
InChIKeyNCCOHBKLPQDXLQ-UHFFFAOYSA-N
XLogP6.15
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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tert-butyl N-[[6-[7-[4-[[4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carbonyl]amino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 139520474
N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-4-[(1-methylpyrrolidin-3-yl)methoxy]-2-oxopyridine-3-carboxamide
CID 172445515
4-ethoxy-N-[3-fluoro-4-[2-[5-[(3-methoxypyrrolidin-1-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 172466028
4-(2-cyclopropylethoxy)-N-[3-fluoro-4-[2-[5-(morpholin-4-ylmethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 172468329
5-(4-Fluorophenyl)-7-[(2-pyridyl)-methyloxy]-thieno[3,2-b]pyridine
CID 9862584
2-[3-fluoro-4-[2-(3-hydroxypyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-methylacetamide
CID 18456581
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-(4-fluorophenyl)-N'-methylpropanediamide
CID 25212244
benzyl N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamate
CID 25270924
N-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]cyclopropanecarboxamide
CID 44229637
1-Cyclopropyl-3-[3-fluoro-4-[2-[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]urea
CID 44229834
1-[[6-[7-[4-(Cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-3-ethyl-1-(2-methoxyethyl)urea
CID 53476278

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one (CID 58207662) is 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one is O=C(Cc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOC5=O)cn4)sc23)c(F)c1)CC1CC1.
What is the InChIKey of 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NCCOHBKLPQDXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O4S/c29-21-13-18(12-20(33)11-17-1-2-17)4-6-24(21)36-25-7-8-30-23-14-26(37-27(23)25)22-5-3-19(15-31-22)16-32-9-10-35-28(32)34/h3-8,13-15,17H,1-2,9-12,16H2.
What are the key properties of 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one?
3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 517.58 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58207662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).