methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate

C34H32FN3O7S2 — CID 58207797

IUPACmethyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(S(C)(=O)=O)c5)cc4F)c3s2)nc1)C(=O)OC
InChIInChI=1S/C34H32FN3O7S2/c1-43-14-13-38(34(40)44-2)21-24-7-9-28(37-20-24)32-19-29-33(46-32)31(11-12-36-29)45-30-10-8-23(18-27(30)35)16-25(39)15-22-5-4-6-26(17-22)47(3,41)42/h4-12,17-20H,13-16,21H2,1-3H3
InChIKeyPJJJCGWTZDMCST-UHFFFAOYSA-N
MW677.78 g/mol
LogP6.26
Rot. Bonds13

About methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate

methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (PubChem CID 58207797) has the molecular formula C34H32FN3O7S2 and a molecular weight of 677.78 g/mol. Its IUPAC name is methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
PubChem CID58207797
Molecular FormulaC34H32FN3O7S2
Molecular Weight677.78 g/mol
Exact Mass677.17
IUPAC Namemethyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
SMILESCOCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(S(C)(=O)=O)c5)cc4F)c3s2)nc1)C(=O)OC
InChIInChI=1S/C34H32FN3O7S2/c1-43-14-13-38(34(40)44-2)21-24-7-9-28(37-20-24)32-19-29-33(46-32)31(11-12-36-29)45-30-10-8-23(18-27(30)35)16-25(39)15-22-5-4-6-26(17-22)47(3,41)42/h4-12,17-20H,13-16,21H2,1-3H3
InChIKeyPJJJCGWTZDMCST-UHFFFAOYSA-N
XLogP6.26
TPSA124.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.78
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate with MolForge

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Related Compounds

methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 58207792
methyl N-[[6-[7-[4-[(3-carbamoylphenyl)carbamoylamino]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 58236566
methyl 4-[3-fluoro-4-[2-[5-[[(2-methylpropan-2-yl)oxycarbonyl-propylamino]methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxobutanoate
CID 58207693
tert-butyl N-[[6-[7-[2-fluoro-4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 159925498
methyl 3-[3-[3-fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzoate
CID 58207679
tert-butyl N-[[6-[7-[2-fluoro-4-[2-oxo-2-(2-oxo-3-phenylimidazolidin-1-yl)ethyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 158131674
tert-butyl N-[[6-[7-[4-(3-cyclobutyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
CID 158680276
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-propylacetamide
CID 58207765
N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-hydroxy-N-(2-methoxyethyl)propanamide
CID 67444246
N-[[6-[7-[4-(cyclopropylcarbamoylamino)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)-2-methylbutanamide
CID 123739029
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
tert-butyl N-[[6-[7-[2-fluoro-4-[(2-oxo-3-phenylimidazolidine-1-carbonyl)amino]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate
CID 71027919

Frequently Asked Questions

What is the IUPAC name of methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?
The IUPAC name of methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate (CID 58207797) is methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate.
What is the SMILES notation for methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?
The canonical SMILES for methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is COCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(S(C)(=O)=O)c5)cc4F)c3s2)nc1)C(=O)OC.
What is the InChIKey of methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?
The InChIKey is PJJJCGWTZDMCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O7S2/c1-43-14-13-38(34(40)44-2)21-24-7-9-28(37-20-24)32-19-29-33(46-32)31(11-12-36-29)45-30-10-8-23(18-27(30)35)16-25(39)15-22-5-4-6-26(17-22)47(3,41)42/h4-12,17-20H,13-16,21H2,1-3H3.
What are the key properties of methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate?
methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate has a molecular weight of 677.78 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 58207797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).