7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

C14H20FN3O — CID 130433330

IUPAC7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESON1CC[C@@](F)(CCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C14H20FN3O/c15-14(7-9-18(19)10-14)6-5-12-4-3-11-2-1-8-16-13(11)17-12/h3-4,19H,1-2,5-10H2,(H,16,17)/t14-/m0/s1
InChIKeyRYVAXBDDXHDKKP-AWEZNQCLSA-N
MW265.33 g/mol
LogP2.18
Rot. Bonds3

About 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine

7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 130433330) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID130433330
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESON1CC[C@@](F)(CCc2ccc3c(n2)NCCC3)C1
InChIInChI=1S/C14H20FN3O/c15-14(7-9-18(19)10-14)6-5-12-4-3-11-2-1-8-16-13(11)17-12/h3-4,19H,1-2,5-10H2,(H,16,17)/t14-/m0/s1
InChIKeyRYVAXBDDXHDKKP-AWEZNQCLSA-N
XLogP2.18
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Related Compounds

methyl (E)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-3-enoate
CID 118981808
(2R)-2-[(3R)-3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid
CID 146607907
2-[3-fluoro-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentyl]pyrrolidin-1-yl]-2-phenylacetic acid
CID 135312472
tert-butyl (E)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-2-enoate
CID 130453719
tert-butyl 4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]but-2-enoate
CID 142748776
(3R)-4-[(3S)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-3-(3-morpholin-4-ylphenyl)butanoic acid
CID 121242231
2-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)ethanol
CID 21054357
3-(2-fluoro-5-morpholin-4-ylphenyl)-4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
CID 118981870
(2R)-4-[(3R)-3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-2-methyl-3-(3-morpholin-4-ylphenyl)butanoic acid
CID 140877958
4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-3-[3-(2-iodooxyethoxy)phenyl]butanoic acid
CID 147823168
2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethanamine;dihydrochloride
CID 22678213
methyl 4-[3-fluoro-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]-3-[3-(2-methoxypropoxy)phenyl]butanoate
CID 156565014

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 130433330) is 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is ON1CC[C@@](F)(CCc2ccc3c(n2)NCCC3)C1.
What is the InChIKey of 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is RYVAXBDDXHDKKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FN3O/c15-14(7-9-18(19)10-14)6-5-12-4-3-11-2-1-8-16-13(11)17-12/h3-4,19H,1-2,5-10H2,(H,16,17)/t14-/m0/s1.
What are the key properties of 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 265.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(3S)-3-fluoro-1-hydroxypyrrolidin-3-yl]ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 130433330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).