fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate

C24H24F2N4O3 — CID 176990679

IUPACfluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cc(F)cnc3C2)ccn1)OF
InChIInChI=1S/C24H24F2N4O3/c25-19-12-21-20(30-14-19)11-18(13-29-21)24(17-4-2-1-3-5-17)28-9-7-16-6-8-27-22(10-16)32-15-23(31)33-26/h1-6,8,10,12,14,18,24,28-29H,7,9,11,13,15H2/t18-,24-/m1/s1
InChIKeyFPYTZRDKZUKAIE-HOYKHHGWSA-N
MW454.48 g/mol
LogP3.58
Rot. Bonds9

About fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate

fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate (PubChem CID 176990679) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate.

Molecular Properties

Compound Namefluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate
PubChem CID176990679
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Namefluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate
SMILESO=C(COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cc(F)cnc3C2)ccn1)OF
InChIInChI=1S/C24H24F2N4O3/c25-19-12-21-20(30-14-19)11-18(13-29-21)24(17-4-2-1-3-5-17)28-9-7-16-6-8-27-22(10-16)32-15-23(31)33-26/h1-6,8,10,12,14,18,24,28-29H,7,9,11,13,15H2/t18-,24-/m1/s1
InChIKeyFPYTZRDKZUKAIE-HOYKHHGWSA-N
XLogP3.58
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-2-pyridinyl]oxy]acetic acid
CID 176990713
2-[3-fluoro-5-[(2S)-1-[[(S)-[(3S)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]propan-2-yl]phenyl]acetic acid
CID 176990759
(5S)-3-[2-[[(S)-phenyl-[(3R)-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]methyl]amino]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-5-amine
CID 176990733
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
2-[3-[2-[[(R)-[(2R)-8-cyano-6-fluoro-1,2,3,4-tetrahydroquinoxalin-2-yl]-phenylmethyl]amino]ethyl]phenyl]-2-methylpropanoic acid
CID 176990890
ethyl 2-[(4-propyl-2-pyridinyl)oxy]acetate
CID 143887613
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenylacetamide
CID 33406037
1-cyclopropyl-N-[(6-methoxy-3-pyridinyl)methyl]-1-phenylmethanamine
CID 61311987
1-cyclopropyl-N-[(5-fluoro-2-methylphenyl)methyl]-1-phenylmethanamine
CID 103943652

Frequently Asked Questions

What is the IUPAC name of fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate?
The IUPAC name of fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate (CID 176990679) is fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate.
What is the SMILES notation for fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate?
The canonical SMILES for fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate is O=C(COc1cc(CCN[C@H](c2ccccc2)[C@H]2CNc3cc(F)cnc3C2)ccn1)OF.
What is the InChIKey of fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate?
The InChIKey is FPYTZRDKZUKAIE-HOYKHHGWSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c25-19-12-21-20(30-14-19)11-18(13-29-21)24(17-4-2-1-3-5-17)28-9-7-16-6-8-27-22(10-16)32-15-23(31)33-26/h1-6,8,10,12,14,18,24,28-29H,7,9,11,13,15H2/t18-,24-/m1/s1.
What are the key properties of fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate?
fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate has a molecular weight of 454.48 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-[[4-[2-[[(S)-[(3R)-7-fluoro-1,2,3,4-tetrahydro-1,5-naphthyridin-3-yl]-phenylmethyl]amino]ethyl]-2-pyridinyl]oxy]acetate is sourced from PubChem (CID 176990679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).