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)

C22H27F6N5O6 — CID 118746390

IUPACN,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)
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.2C2HF3O2/c1-21(2)18(24)13-25-12-16-8-19-7-15-11-23(5-4-17(15)16)10-14-6-20-22(3)9-14;2*3-2(4,5)1(6)7/h6-9H,4-5,10-13H2,1-3H3;2*(H,6,7)
InChIKeyPHUYNVCBBIUCSU-UHFFFAOYSA-N
MW571.48 g/mol
LogP2.24
Rot. Bonds6

About 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)

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) (PubChem CID 118746390) has the molecular formula C22H27F6N5O6 and a molecular weight of 571.48 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound NameN,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)
PubChem CID118746390
Molecular FormulaC22H27F6N5O6
Molecular Weight571.48 g/mol
Exact Mass571.19
IUPAC NameN,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)
SMILESCN(C)C(=O)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C18H25N5O2.2C2HF3O2/c1-21(2)18(24)13-25-12-16-8-19-7-15-11-23(5-4-17(15)16)10-14-6-20-22(3)9-14;2*3-2(4,5)1(6)7/h6-9H,4-5,10-13H2,1-3H3;2*(H,6,7)
InChIKeyPHUYNVCBBIUCSU-UHFFFAOYSA-N
XLogP2.24
TPSA138.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.48
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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) with MolForge

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Related Compounds

5-(methoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97381908
5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97463731
N,N-dimethyl-2-[[7-[(1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]acetamide
CID 97463784
5-(methoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746092
5-(cyclopropylmethoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746093
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746102
5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine;bis(2,2,2-trifluoroacetic acid)
CID 118746389
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
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-(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
N,N-dimethyl-2-[7-(pyridin-3-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155830243
5-(Oxan-4-ylmethyl)-7-(pyridin-3-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155831310

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CN(C)C(=O)COCc1cncc2c1CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 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)?
The InChIKey is PHUYNVCBBIUCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.2C2HF3O2/c1-21(2)18(24)13-25-12-16-8-19-7-15-11-23(5-4-17(15)16)10-14-6-20-22(3)9-14;2*3-2(4,5)1(6)7/h6-9H,4-5,10-13H2,1-3H3;2*(H,6,7).
What are the key properties of 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)?
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) has a molecular weight of 571.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 118746390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).