5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine

C19H25F2N5O2S — CID 172600381

IUPAC5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCC(F)(F)CC4)nccc3cn2)CC1
InChIInChI=1S/C19H25F2N5O2S/c1-29(27,28)26-8-3-15(4-9-26)24-17-12-16-14(13-23-17)2-7-22-18(16)25-10-5-19(20,21)6-11-25/h2,7,12-13,15H,3-6,8-11H2,1H3,(H,23,24)
InChIKeyORDZSPMPMQTSHU-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.70
Rot. Bonds4

About 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine

5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine (PubChem CID 172600381) has the molecular formula C19H25F2N5O2S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
PubChem CID172600381
Molecular FormulaC19H25F2N5O2S
Molecular Weight425.51 g/mol
Exact Mass425.17
IUPAC Name5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
SMILESCS(=O)(=O)N1CCC(Nc2cc3c(N4CCC(F)(F)CC4)nccc3cn2)CC1
InChIInChI=1S/C19H25F2N5O2S/c1-29(27,28)26-8-3-15(4-9-26)24-17-12-16-14(13-23-17)2-7-22-18(16)25-10-5-19(20,21)6-11-25/h2,7,12-13,15H,3-6,8-11H2,1H3,(H,23,24)
InChIKeyORDZSPMPMQTSHU-UHFFFAOYSA-N
XLogP2.70
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine with MolForge

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Related Compounds

4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
7-(chloromethyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-piperidin-1-yl-2,6-naphthyridin-3-amine
CID 172601278
ethane;(3-methylpiperidin-1-yl)-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]methanone;molecular hydrogen
CID 172600523
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 90245389
2-[7-[(1-methylsulfanylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]-2-azaspiro[3.3]heptan-6-ol
CID 172601127
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686
N-(1-methylsulfonylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 176901310
(3R,4R)-4-[[5-[(1S,3S)-3-aminocyclopentyl]-2,6-naphthyridin-3-yl]amino]-1-methylsulfonylpiperidin-3-ol
CID 178017023
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]-5-[(3S,4S)-3-fluoropiperidin-4-yl]-2,6-naphthyridin-3-amine
CID 178016987
5-fluoro-4-N-(1-methylsulfonylpiperidin-4-yl)pyrimidine-2,4-diamine
CID 156533351

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The IUPAC name of 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine (CID 172600381) is 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine.
What is the SMILES notation for 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The canonical SMILES for 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine is CS(=O)(=O)N1CCC(Nc2cc3c(N4CCC(F)(F)CC4)nccc3cn2)CC1.
What is the InChIKey of 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
The InChIKey is ORDZSPMPMQTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O2S/c1-29(27,28)26-8-3-15(4-9-26)24-17-12-16-14(13-23-17)2-7-22-18(16)25-10-5-19(20,21)6-11-25/h2,7,12-13,15H,3-6,8-11H2,1H3,(H,23,24).
What are the key properties of 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine?
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine has a molecular weight of 425.51 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine is sourced from PubChem (CID 172600381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).