methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

C22H17FN4O3S — CID 177337145

IUPACmethyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H17FN4O3S/c1-27(15-6-4-14(23)5-7-15)21(28)18-9-16-17(11-24-12-19(16)31-18)13-3-8-20(25-10-13)26-22(29)30-2/h3-12H,1-2H3,(H,25,26,29)
InChIKeyFGNVHHQKVRNGSP-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.95
Rot. Bonds4

About methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate

methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (PubChem CID 177337145) has the molecular formula C22H17FN4O3S and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
PubChem CID177337145
Molecular FormulaC22H17FN4O3S
Molecular Weight436.47 g/mol
Exact Mass436.10
IUPAC Namemethyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4ccc(F)cc4)cc23)cn1
InChIInChI=1S/C22H17FN4O3S/c1-27(15-6-4-14(23)5-7-15)21(28)18-9-16-17(11-24-12-19(16)31-18)13-3-8-20(25-10-13)26-22(29)30-2/h3-12H,1-2H3,(H,25,26,29)
InChIKeyFGNVHHQKVRNGSP-UHFFFAOYSA-N
XLogP4.95
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate with MolForge

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Related Compounds

methyl N-[5-[2-[(4-fluoro-3-methoxyphenyl)-methylcarbamoyl]-7-methylthieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate
CID 177337150
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(4-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337182
4-[6-(ethylcarbamoylamino)-3-pyridinyl]-N-(6-methoxy-2-pyridinyl)-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 177337170
4-(4-fluorophenyl)-N,5-dimethyl-N-pyridin-3-ylthiophene-2-carboxamide
CID 86778846
methyl N-[4-[6-[(4-chlorophenyl)-methylcarbamoyl]isoquinolin-4-yl]phenyl]carbamate
CID 178036574
6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide
CID 29199446
methyl 4-(3-aminophenyl)thieno[2,3-c]pyridine-2-carboxylate
CID 141024151
methyl N-(5-amino-2-pyridinyl)carbamate
CID 58772637
N-[5-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 118945921
N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]propanamide
CID 118560751
5-chloro-2-(ethylamino)-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 114922724
4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 142725170

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate (CID 177337145) is methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(-c2cncc3sc(C(=O)N(C)c4ccc(F)cc4)cc23)cn1.
What is the InChIKey of methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
The InChIKey is FGNVHHQKVRNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3S/c1-27(15-6-4-14(23)5-7-15)21(28)18-9-16-17(11-24-12-19(16)31-18)13-3-8-20(25-10-13)26-22(29)30-2/h3-12H,1-2H3,(H,25,26,29).
What are the key properties of methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate?
methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate has a molecular weight of 436.47 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2-[(4-fluorophenyl)-methylcarbamoyl]thieno[2,3-c]pyridin-4-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 177337145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).