5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine

C15H24FN5OS — CID 144781407

IUPAC5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine
SMILESNc1cncc(F)c1CC[C@H]1CNCCN1S(=O)N1CCCC1
InChIInChI=1S/C15H24FN5OS/c16-14-10-19-11-15(17)13(14)4-3-12-9-18-5-8-21(12)23(22)20-6-1-2-7-20/h10-12,18H,1-9,17H2/t12-,23?/m0/s1
InChIKeyQQQBZDNCIOCSFC-AKYMPMEGSA-N
MW341.46 g/mol
LogP0.68
Rot. Bonds5

About 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine

5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine (PubChem CID 144781407) has the molecular formula C15H24FN5OS and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine.

Molecular Properties

Compound Name5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine
PubChem CID144781407
Molecular FormulaC15H24FN5OS
Molecular Weight341.46 g/mol
Exact Mass341.17
IUPAC Name5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine
SMILESNc1cncc(F)c1CC[C@H]1CNCCN1S(=O)N1CCCC1
InChIInChI=1S/C15H24FN5OS/c16-14-10-19-11-15(17)13(14)4-3-12-9-18-5-8-21(12)23(22)20-6-1-2-7-20/h10-12,18H,1-9,17H2/t12-,23?/m0/s1
InChIKeyQQQBZDNCIOCSFC-AKYMPMEGSA-N
XLogP0.68
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-[4-[2-[(2S)-1-(cyclopropylmethylsulfinyl)piperazin-2-yl]ethyl]-5-fluoro-3-pyridinyl]-3-(3-fluoro-5-methylphenyl)-3-(4-fluorophenyl)propanamide;ethane;formaldehyde
CID 144781641
N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]formamide
CID 138547115
(2S,3S)-2-amino-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfonylpiperazin-2-yl]ethyl]-3-pyridinyl]propanamide
CID 121377922
N-[5-amino-3-(3,5-difluorophenyl)-4-fluoro-2-[5-fluoro-4-[2-[(2R)-1-methylsulfonylpiperazin-2-yl]ethyl]-3-pyridinyl]phenyl]propanamide
CID 140721207
tert-butyl (3S)-3-[2-(3-amino-5-fluoro-4-pyridinyl)ethyl]-4-(benzenesulfonyl)piperazine-1-carboxylate
CID 121383848
3-(4-fluorophenyl)-N-[3-fluoro-2-[2-(1-propylsulfinylpiperazin-2-yl)ethyl]phenyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]propanamide
CID 144917282
3-(4-fluorophenyl)-N-[5-fluoro-4-[2-[(2S)-1-propylsulfanylpiperazin-2-yl]ethyl]-3-pyridinyl]-3-(oxan-4-yl)propanamide
CID 138547249
(4S)-1-[4-[2-[(2S)-1-(cyclopropylmethylsulfonyl)piperazin-2-yl]ethyl]-5-fluoro-3-pyridinyl]-4-(3,5-difluorophenyl)-4-(4-fluorophenyl)butan-2-one
CID 159135049
N-[(1S,2S)-4-[4-[2-[(2S)-1-cyclopropylsulfonylpiperazin-2-yl]ethyl]-5-fluoro-3-pyridinyl]-1-(3,5-difluorophenyl)-1-(4-fluorophenyl)-3-oxobutan-2-yl]cyclopropanecarboxamide
CID 149231303
3-(4-chlorophenyl)-3-[6-(1,1-difluoroethyl)-3-pyridinyl]-N-[5-fluoro-4-[2-(1-propylsulfanylpiperazin-2-yl)ethyl]-3-pyridinyl]propanamide
CID 138547285
tert-butyl (6R,9S)-9-[2-(3-amino-5-fluoro-4-pyridinyl)ethyl]-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate;tert-butyl (6R,9S)-9-[2-[3-fluoro-5-(3,3,3-trifluoro-2-oxopropyl)-4-pyridinyl]ethyl]-2,2-dioxo-2λ6-thia-1,7-diazabicyclo[4.3.1]decane-7-carboxylate
CID 159167590
methyl N-[(1S,2S)-1-(3,5-difluorophenyl)-3-[[5-fluoro-4-[2-[(2R)-1-methylsulfonylpiperazin-2-yl]ethyl]-3-pyridinyl]amino]-1-(4-fluorophenyl)-3-oxopropan-2-yl]carbamate
CID 121388535

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine?
The IUPAC name of 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine (CID 144781407) is 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine.
What is the SMILES notation for 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine?
The canonical SMILES for 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine is Nc1cncc(F)c1CC[C@H]1CNCCN1S(=O)N1CCCC1.
What is the InChIKey of 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine?
The InChIKey is QQQBZDNCIOCSFC-AKYMPMEGSA-N. The full InChI is InChI=1S/C15H24FN5OS/c16-14-10-19-11-15(17)13(14)4-3-12-9-18-5-8-21(12)23(22)20-6-1-2-7-20/h10-12,18H,1-9,17H2/t12-,23?/m0/s1.
What are the key properties of 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine?
5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine has a molecular weight of 341.46 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[2-[(2S)-1-pyrrolidin-1-ylsulfinylpiperazin-2-yl]ethyl]pyridin-3-amine is sourced from PubChem (CID 144781407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).