[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

C20H23FN4O4S — CID 110085396

IUPAC[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C20H23FN4O4S/c1-29-17-5-4-14(21)11-18(17)30(27,28)25-9-6-16-13(12-25)10-15(19(22)23-16)20(26)24-7-2-3-8-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H2,22,23)
InChIKeyDHNGMLXZRUQYPB-UHFFFAOYSA-N
MW434.49 g/mol
LogP1.79
Rot. Bonds4

About [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone

[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110085396) has the molecular formula C20H23FN4O4S and a molecular weight of 434.49 g/mol. Its IUPAC name is [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID110085396
Molecular FormulaC20H23FN4O4S
Molecular Weight434.49 g/mol
Exact Mass434.14
IUPAC Name[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(F)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1
InChIInChI=1S/C20H23FN4O4S/c1-29-17-5-4-14(21)11-18(17)30(27,28)25-9-6-16-13(12-25)10-15(19(22)23-16)20(26)24-7-2-3-8-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H2,22,23)
InChIKeyDHNGMLXZRUQYPB-UHFFFAOYSA-N
XLogP1.79
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Olacaftor
CID 121250885
Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
1-ethyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4833757
2-amino-1-ethyl-7-[3-fluoro-4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53303455
7-(4-Methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-5-(2,2,2-trifluoroethylamino)pyrido[4,3-d]pyrimidin-4-one
CID 58092909
6-(2-ethoxy-5-fluorophenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250457
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-6-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250458
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250501
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-(3-methoxyphenyl)sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250530
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-5-methoxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250531
2-(2,5-dimethylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide
CID 121250534
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dihydropyrrol-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250546

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 110085396) is [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is COc1ccc(F)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N3CCCC3)cc2C1.
What is the InChIKey of [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DHNGMLXZRUQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4S/c1-29-17-5-4-14(21)11-18(17)30(27,28)25-9-6-16-13(12-25)10-15(19(22)23-16)20(26)24-7-2-3-8-24/h4-5,10-11H,2-3,6-9,12H2,1H3,(H2,22,23).
What are the key properties of [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone?
[2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 434.49 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(5-fluoro-2-methoxyphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110085396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).