methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate

C18H13FN4O2S — CID 133301901

IUPACmethyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2cccc(F)c2c1CNc1ccc2nccnc2n1
InChIInChI=1S/C18H13FN4O2S/c1-25-18(24)16-10(15-11(19)3-2-4-13(15)26-16)9-22-14-6-5-12-17(23-14)21-8-7-20-12/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyUFNACUCCKSBSGC-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.78
Rot. Bonds4

About methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate

methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate (PubChem CID 133301901) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate
PubChem CID133301901
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC Namemethyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2cccc(F)c2c1CNc1ccc2nccnc2n1
InChIInChI=1S/C18H13FN4O2S/c1-25-18(24)16-10(15-11(19)3-2-4-13(15)26-16)9-22-14-6-5-12-17(23-14)21-8-7-20-12/h2-8H,9H2,1H3,(H,21,22,23)
InChIKeyUFNACUCCKSBSGC-UHFFFAOYSA-N
XLogP3.78
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate with MolForge

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Related Compounds

Methyl 3-amino-6-(isoquinolin-1-ylamino)thieno[3,2-b]pyridine-2-carboxylate
CID 50907060
Ethyl 2-fluoro-5-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]amino]benzoate
CID 87812570
5-[6-(2-Quinolin-8-ylethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)thiophene-2-carboxylic acid
CID 156759065
methyl 4-[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]thiophene-2-carboxylate
CID 168198663
Ethyl 5-[6-(dimethylamino)-2-phenylimidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxylate
CID 162403938
Ethyl 4-fluoro-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate
CID 9035400
Ethyl 4-fluoro-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylate
CID 9035401
Ethyl 4-fluoro-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1-benzothiophene-2-carboxylate
CID 9035586
Ethyl 4-fluoro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1-benzothiophene-2-carboxylate
CID 9035587
(6-Methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 9380419
[1-(Difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
CID 17435896
N-[6-(dimethylamino)-3-pyridinyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 17460367

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate (CID 133301901) is methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate is COC(=O)c1sc2cccc(F)c2c1CNc1ccc2nccnc2n1.
What is the InChIKey of methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate?
The InChIKey is UFNACUCCKSBSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c1-25-18(24)16-10(15-11(19)3-2-4-13(15)26-16)9-22-14-6-5-12-17(23-14)21-8-7-20-12/h2-8H,9H2,1H3,(H,21,22,23).
What are the key properties of methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate?
methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-3-[(pyrido[2,3-b]pyrazin-6-ylamino)methyl]-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 133301901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).