2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone

C26H36FN5O3S — CID 161363554

IUPAC2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone
SMILESC[C@@H]1CN(c2nc(N3C[C@@H](C)CC3(C)C)c(C(=O)CS(=O)(=O)c3cccc(N)n3)cc2F)C(C)(C)C1
InChIInChI=1S/C26H36FN5O3S/c1-16-11-25(3,4)31(13-16)23-18(20(33)15-36(34,35)22-9-7-8-21(28)29-22)10-19(27)24(30-23)32-14-17(2)12-26(32,5)6/h7-10,16-17H,11-15H2,1-6H3,(H2,28,29)/t16-,17-/m0/s1
InChIKeyVPMYNBJDVXQDKG-IRXDYDNUSA-N
MW517.67 g/mol
LogP4.10
Rot. Bonds6

About 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone

2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 161363554) has the molecular formula C26H36FN5O3S and a molecular weight of 517.67 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone
PubChem CID161363554
Molecular FormulaC26H36FN5O3S
Molecular Weight517.67 g/mol
Exact Mass517.25
IUPAC Name2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone
SMILESC[C@@H]1CN(c2nc(N3C[C@@H](C)CC3(C)C)c(C(=O)CS(=O)(=O)c3cccc(N)n3)cc2F)C(C)(C)C1
InChIInChI=1S/C26H36FN5O3S/c1-16-11-25(3,4)31(13-16)23-18(20(33)15-36(34,35)22-9-7-8-21(28)29-22)10-19(27)24(30-23)32-14-17(2)12-26(32,5)6/h7-10,16-17H,11-15H2,1-6H3,(H2,28,29)/t16-,17-/m0/s1
InChIKeyVPMYNBJDVXQDKG-IRXDYDNUSA-N
XLogP4.10
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.67
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(14S)-12,12-dimethyl-2,2-dioxo-8-[2-oxo-3-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]-2lambda6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one
CID 139400190
N-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251496
N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253247
N-[(6-amino-2-pyridinyl)sulfonyl]-5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253317
N-(6-aminopyridin-2-yl)sulfonyl-6-(trifluoromethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121254303
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[tert-butyl(propyl)amino]-5-fluoro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 131990024
(6-Amino-2-pyridinyl)sulfonylphosphanyl-[6-chloro-5-fluoro-2-(2,2,4-trimethylpyrrolidin-1-yl)-3-pyridinyl]methanone
CID 139458762
2-[6-[2-(Trifluoromethyl)pyrrolidin-1-yl]pyridin-2-yl]sulfonyl-1-[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridin-3-yl]ethanone
CID 139458906
4-[[6-[(3,5-Difluorophenyl)methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427178
4-[[6-(2,4,5-Trifluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427257
4-[[6-[(3S)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427267
4-[[6-(3,4-Difluoroanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427277

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone (CID 161363554) is 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone is C[C@@H]1CN(c2nc(N3C[C@@H](C)CC3(C)C)c(C(=O)CS(=O)(=O)c3cccc(N)n3)cc2F)C(C)(C)C1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is VPMYNBJDVXQDKG-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H36FN5O3S/c1-16-11-25(3,4)31(13-16)23-18(20(33)15-36(34,35)22-9-7-8-21(28)29-22)10-19(27)24(30-23)32-14-17(2)12-26(32,5)6/h7-10,16-17H,11-15H2,1-6H3,(H2,28,29)/t16-,17-/m0/s1.
What are the key properties of 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone?
2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 517.67 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-fluoro-2,6-bis[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 161363554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).