2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)

C23H29F6N3O7 — CID 155826196

IUPAC2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(COCc1cncc2c1CCN(C1CCOC1)C2)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O3.2C2HF3O2/c23-19(21-5-1-2-6-21)14-25-12-16-10-20-9-15-11-22(7-3-18(15)16)17-4-8-24-13-17;2*3-2(4,5)1(6)7/h9-10,17H,1-8,11-14H2;2*(H,6,7)
InChIKeyANIHBCPMINVVSR-UHFFFAOYSA-N
MW573.49 g/mol
LogP2.63
Rot. Bonds5

About 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)

2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155826196) has the molecular formula C23H29F6N3O7 and a molecular weight of 573.49 g/mol. Its IUPAC name is 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID155826196
Molecular FormulaC23H29F6N3O7
Molecular Weight573.49 g/mol
Exact Mass573.19
IUPAC Name2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(COCc1cncc2c1CCN(C1CCOC1)C2)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C19H27N3O3.2C2HF3O2/c23-19(21-5-1-2-6-21)14-25-12-16-10-20-9-15-11-22(7-3-18(15)16)17-4-8-24-13-17;2*3-2(4,5)1(6)7/h9-10,17H,1-8,11-14H2;2*(H,6,7)
InChIKeyANIHBCPMINVVSR-UHFFFAOYSA-N
XLogP2.63
TPSA129.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463797
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 118747168
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746390
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746538
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 118746543
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747164
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine;tris(2,2,2-trifluoroacetic acid)
CID 118747167
2-[[7-(3,3-difluorocyclobutanecarbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-N,N-dimethylacetamide
CID 131689692
2-(cyclopropylmethyl)-5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828579
5-(cyclopropylmethoxymethyl)-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828637
2-(oxan-4-ylmethyl)-5-(prop-2-enoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 155829006

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) (CID 155826196) is 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) is O=C(COCc1cncc2c1CCN(C1CCOC1)C2)N1CCCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ANIHBCPMINVVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.2C2HF3O2/c23-19(21-5-1-2-6-21)14-25-12-16-10-20-9-15-11-22(7-3-18(15)16)17-4-8-24-13-17;2*3-2(4,5)1(6)7/h9-10,17H,1-8,11-14H2;2*(H,6,7).
What are the key properties of 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid)?
2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 573.49 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]-1-pyrrolidin-1-ylethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155826196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).