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

C34H32FN3O6S2 — CID 58207792

IUPACmethyl N-[[6-[7-[2-fluoro-4-[3-(3-methylsulfonylphenyl)-2-oxopropyl]phenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylcarbamate
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(S(C)(=O)=O)c5)cc4F)c3s2)nc1)C(=O)OC
InChIInChI=1S/C34H32FN3O6S2/c1-4-14-38(34(40)43-2)21-24-8-10-28(37-20-24)32-19-29-33(45-32)31(12-13-36-29)44-30-11-9-23(18-27(30)35)16-25(39)15-22-6-5-7-26(17-22)46(3,41)42/h5-13,17-20H,4,14-16,21H2,1-3H3
InChIKeyZWEDFBYRXCTJPJ-UHFFFAOYSA-N
MW661.78 g/mol
LogP7.03
Rot. Bonds12

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-propylcarbamate

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 (PubChem CID 58207792) has the molecular formula C34H32FN3O6S2 and a molecular weight of 661.78 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-propylcarbamate.

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-propylcarbamate
PubChem CID58207792
Molecular FormulaC34H32FN3O6S2
Molecular Weight661.78 g/mol
Exact Mass661.17
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-propylcarbamate
SMILESCCCN(Cc1ccc(-c2cc3nccc(Oc4ccc(CC(=O)Cc5cccc(S(C)(=O)=O)c5)cc4F)c3s2)nc1)C(=O)OC
InChIInChI=1S/C34H32FN3O6S2/c1-4-14-38(34(40)43-2)21-24-8-10-28(37-20-24)32-19-29-33(45-32)31(12-13-36-29)44-30-11-9-23(18-27(30)35)16-25(39)15-22-6-5-7-26(17-22)46(3,41)42/h5-13,17-20H,4,14-16,21H2,1-3H3
InChIKeyZWEDFBYRXCTJPJ-UHFFFAOYSA-N
XLogP7.03
TPSA115.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.78
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-propylcarbamate 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-(2-methoxyethyl)carbamate
CID 58207797
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
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
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-(1-acetylazetidin-3-yl)-2-sulfanylidenepropyl]-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
CID 157360151
ditert-butyl [2-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2-fluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl-propylamino]-2-oxoethyl] phosphate
CID 58474820
3-[3-[3-fluoro-4-[2-[5-(propylaminomethyl)-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-oxopropyl]benzamide;hydrochloride
CID 123743796
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 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
1-cyclopropyl-3-[3-fluoro-4-[2-(5-methyl-2-pyridinyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]propan-2-one
CID 158339736
N-[[6-[7-[4-(3-cyclopropyl-2-oxopropyl)-2,3-difluorophenoxy]thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-N-propylacetamide
CID 58477390
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

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-propylcarbamate?
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-propylcarbamate (CID 58207792) 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-propylcarbamate.
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-propylcarbamate?
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-propylcarbamate is CCCN(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-propylcarbamate?
The InChIKey is ZWEDFBYRXCTJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN3O6S2/c1-4-14-38(34(40)43-2)21-24-8-10-28(37-20-24)32-19-29-33(45-32)31(12-13-36-29)44-30-11-9-23(18-27(30)35)16-25(39)15-22-6-5-7-26(17-22)46(3,41)42/h5-13,17-20H,4,14-16,21H2,1-3H3.
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-propylcarbamate?
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 has a molecular weight of 661.78 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 9 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-propylcarbamate is sourced from PubChem (CID 58207792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).