[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

C22H26FN7O2 — CID 167020544

IUPAC[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1COCCN1c1cc(C(=O)N2CCN(C)CC2)c2c(F)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H26FN7O2/c1-14-13-32-10-9-30(14)18-11-15(22(31)29-7-5-28(2)6-8-29)19-16(23)12-24-20(21(19)26-18)17-3-4-25-27-17/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,25,27)
InChIKeyAZTHGHCJNOBKML-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.77
Rot. Bonds3

About [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 167020544) has the molecular formula C22H26FN7O2 and a molecular weight of 439.50 g/mol. Its IUPAC name is [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID167020544
Molecular FormulaC22H26FN7O2
Molecular Weight439.50 g/mol
Exact Mass439.21
IUPAC Name[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCC1COCCN1c1cc(C(=O)N2CCN(C)CC2)c2c(F)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H26FN7O2/c1-14-13-32-10-9-30(14)18-11-15(22(31)29-7-5-28(2)6-8-29)19-16(23)12-24-20(21(19)26-18)17-3-4-25-27-17/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,25,27)
InChIKeyAZTHGHCJNOBKML-UHFFFAOYSA-N
XLogP1.77
TPSA90.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
4-[5-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxane-4-carbonitrile
CID 167020344
(3R)-4-[4-(2,6-diazaspiro[3.4]octan-6-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688158
(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130229064
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
diethyl-[[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 130245982
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
2-amino-1-[1-methyl-5-[(3R)-3-methylmorpholin-4-yl]-3-(1H-pyrazol-5-yl)pyrazolo[4,5-b]pyridin-7-yl]ethanone
CID 156699447
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 130245734
4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 167020544) is [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is CC1COCCN1c1cc(C(=O)N2CCN(C)CC2)c2c(F)cnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AZTHGHCJNOBKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN7O2/c1-14-13-32-10-9-30(14)18-11-15(22(31)29-7-5-28(2)6-8-29)19-16(23)12-24-20(21(19)26-18)17-3-4-25-27-17/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,25,27).
What are the key properties of [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 439.50 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 167020544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).