N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine

C19H25F2N5O2S — CID 178016987

IUPACN-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CC[C@@H](Nc2cc3c([C@@H]4CCNC[C@H]4F)nccc3cn2)[C@H](F)C1
InChIInChI=1S/C19H25F2N5O2S/c1-29(27,28)26-7-4-17(16(21)11-26)25-18-8-14-12(9-24-18)2-6-23-19(14)13-3-5-22-10-15(13)20/h2,6,8-9,13,15-17,22H,3-5,7,10-11H2,1H3,(H,24,25)/t13-,15-,16-,17-/m1/s1
InChIKeyPRLSZYZDUOXXDF-MWQQHZPXSA-N
MW425.51 g/mol
LogP1.83
Rot. Bonds4

About N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine

N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine (PubChem CID 178016987) has the molecular formula C19H25F2N5O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine.

Molecular Properties

Compound NameN-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine
PubChem CID178016987
Molecular FormulaC19H25F2N5O2S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC NameN-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CC[C@@H](Nc2cc3c([C@@H]4CCNC[C@H]4F)nccc3cn2)[C@H](F)C1
InChIInChI=1S/C19H25F2N5O2S/c1-29(27,28)26-7-4-17(16(21)11-26)25-18-8-14-12(9-24-18)2-6-23-19(14)13-3-5-22-10-15(13)20/h2,6,8-9,13,15-17,22H,3-5,7,10-11H2,1H3,(H,24,25)/t13-,15-,16-,17-/m1/s1
InChIKeyPRLSZYZDUOXXDF-MWQQHZPXSA-N
XLogP1.83
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
7-(3-fluoroazepan-4-yl)-N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178081157
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]piperidine-1-carboxylate
CID 178017091
tert-butyl 4-[7-[[(3R,4R)-3-hydroxy-1-methylsulfonylpiperidin-4-yl]amino]-2,6-naphthyridin-1-yl]azepane-1-carboxylate
CID 178016979
5-[(4S)-3,3-difluoropiperidin-4-yl]-N-[(3S,4R)-3-fluorooxan-4-yl]-2,6-naphthyridin-3-amine
CID 178017098
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
7-(3-fluoro-1-methylazepan-4-yl)-N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178081158
4-[(5-chloro-4-iodo-2-pyridinyl)amino]-1-methylsulfonylpiperidin-3-ol
CID 155600042
8-cyclopentyl-2-[[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458866
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine?
The IUPAC name of N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine (CID 178016987) is N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine.
What is the SMILES notation for N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine?
The canonical SMILES for N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine is CS(=O)(=O)N1CC[C@@H](Nc2cc3c([C@@H]4CCNC[C@H]4F)nccc3cn2)[C@H](F)C1.
What is the InChIKey of N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine?
The InChIKey is PRLSZYZDUOXXDF-MWQQHZPXSA-N. The full InChI is InChI=1S/C19H25F2N5O2S/c1-29(27,28)26-7-4-17(16(21)11-26)25-18-8-14-12(9-24-18)2-6-23-19(14)13-3-5-22-10-15(13)20/h2,6,8-9,13,15-17,22H,3-5,7,10-11H2,1H3,(H,24,25)/t13-,15-,16-,17-/m1/s1.
What are the key properties of N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine?
N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine has a molecular weight of 425.51 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine is sourced from PubChem (CID 178016987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).