methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

C24H21FN4O4S — CID 177337150

IUPACmethyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnc(C)c3sc(C(=O)N(C)c4ccc(F)c(OC)c4)cc23)cn1
InChIInChI=1S/C24H21FN4O4S/c1-13-22-16(17(12-26-13)14-5-8-21(27-11-14)28-24(31)33-4)10-20(34-22)23(30)29(2)15-6-7-18(25)19(9-15)32-3/h5-12H,1-4H3,(H,27,28,31)
InChIKeyDKFTUXACEZMISG-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.27
Rot. Bonds5

About methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 177337150) has the molecular formula C24H21FN4O4S and a molecular weight of 480.52 g/mol. Its IUPAC name is methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
PubChem CID177337150
Molecular FormulaC24H21FN4O4S
Molecular Weight480.52 g/mol
Exact Mass480.13
IUPAC Namemethyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cnc(C)c3sc(C(=O)N(C)c4ccc(F)c(OC)c4)cc23)cn1
InChIInChI=1S/C24H21FN4O4S/c1-13-22-16(17(12-26-13)14-5-8-21(27-11-14)28-24(31)33-4)10-20(34-22)23(30)29(2)15-6-7-18(25)19(9-15)32-3/h5-12H,1-4H3,(H,27,28,31)
InChIKeyDKFTUXACEZMISG-UHFFFAOYSA-N
XLogP5.27
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337145
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(4-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337182
methyl N-[5-[6-[4-(4-fluoro-3-methoxyphenyl)-1-methylpyrazol-3-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]carbamate
CID 171799420
N-(4-fluoro-3-methoxyphenyl)-3-[6-[(2-methoxyacetyl)amino]-3-pyridinyl]-N-methylbenzimidazole-5-carboxamide
CID 171799527
methyl N-[5-[6-[2-cyanoethyl-(4-fluoro-3-methoxyphenyl)carbamoyl]-4-methylbenzimidazol-1-yl]-2-pyridinyl]carbamate
CID 171799551
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337170
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 86778846
methyl N-(5-amino-2-pyridinyl)carbamate
CID 58772637
methyl N-[4-[6-[(4-chlorophenyl)-methylcarbamoyl]isoquinolin-4-yl]phenyl]carbamate
CID 178036574
1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
CID 175962958
N-(3-methoxyphenyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 62180536

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (CID 177337150) is methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2cnc(C)c3sc(C(=O)N(C)c4ccc(F)c(OC)c4)cc23)cn1.
What is the InChIKey of methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is DKFTUXACEZMISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4S/c1-13-22-16(17(12-26-13)14-5-8-21(27-11-14)28-24(31)33-4)10-20(34-22)23(30)29(2)15-6-7-18(25)19(9-15)32-3/h5-12H,1-4H3,(H,27,28,31).
What are the key properties of methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 480.52 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 177337150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).