1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone

C28H35FN6O2 — CID 166628065

IUPAC1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(F)c(Nc3cc4nc([C@](C)(O)C5CCN(C)CC5)ccc4cn3)c2)CC1
InChIInChI=1S/C28H35FN6O2/c1-19(36)34-12-14-35(15-13-34)22-5-6-23(29)25(16-22)32-27-17-24-20(18-30-27)4-7-26(31-24)28(2,37)21-8-10-33(3)11-9-21/h4-7,16-18,21,37H,8-15H2,1-3H3,(H,30,32)/t28-/m1/s1
InChIKeyBXQKMGAINGBZAW-MUUNZHRXSA-N
MW506.63 g/mol
LogP3.73
Rot. Bonds5

About 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone

1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone (PubChem CID 166628065) has the molecular formula C28H35FN6O2 and a molecular weight of 506.63 g/mol. Its IUPAC name is 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
PubChem CID166628065
Molecular FormulaC28H35FN6O2
Molecular Weight506.63 g/mol
Exact Mass506.28
IUPAC Name1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(F)c(Nc3cc4nc([C@](C)(O)C5CCN(C)CC5)ccc4cn3)c2)CC1
InChIInChI=1S/C28H35FN6O2/c1-19(36)34-12-14-35(15-13-34)22-5-6-23(29)25(16-22)32-27-17-24-20(18-30-27)4-7-26(31-24)28(2,37)21-8-10-33(3)11-9-21/h4-7,16-18,21,37H,8-15H2,1-3H3,(H,30,32)/t28-/m1/s1
InChIKeyBXQKMGAINGBZAW-MUUNZHRXSA-N
XLogP3.73
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone (CID 166628065) is 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(F)c(Nc3cc4nc([C@](C)(O)C5CCN(C)CC5)ccc4cn3)c2)CC1.
What is the InChIKey of 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone?
The InChIKey is BXQKMGAINGBZAW-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H35FN6O2/c1-19(36)34-12-14-35(15-13-34)22-5-6-23(29)25(16-22)32-27-17-24-20(18-30-27)4-7-26(31-24)28(2,37)21-8-10-33(3)11-9-21/h4-7,16-18,21,37H,8-15H2,1-3H3,(H,30,32)/t28-/m1/s1.
What are the key properties of 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone?
1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 506.63 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-fluoro-3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 166628065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).