(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

C22H26FN7O — CID 170688158

IUPAC(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
SMILESC[C@@H]1COCCN1c1cc(N2CCC3(CNC3)C2)c2c(F)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H26FN7O/c1-14-10-31-7-6-30(14)18-8-17(29-5-3-22(13-29)11-24-12-22)19-15(23)9-25-20(21(19)27-18)16-2-4-26-28-16/h2,4,8-9,14,24H,3,5-7,10-13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyNZTVPJPEYMAONC-CQSZACIVSA-N
MW423.50 g/mol
LogP2.18
Rot. Bonds3

About (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

(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 (PubChem CID 170688158) has the molecular formula C22H26FN7O and a molecular weight of 423.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID170688158
Molecular FormulaC22H26FN7O
Molecular Weight423.50 g/mol
Exact Mass423.22
IUPAC Name(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
SMILESC[C@@H]1COCCN1c1cc(N2CCC3(CNC3)C2)c2c(F)cnc(-c3ccn[nH]3)c2n1
InChIInChI=1S/C22H26FN7O/c1-14-10-31-7-6-30(14)18-8-17(29-5-3-22(13-29)11-24-12-22)19-15(23)9-25-20(21(19)27-18)16-2-4-26-28-16/h2,4,8-9,14,24H,3,5-7,10-13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyNZTVPJPEYMAONC-CQSZACIVSA-N
XLogP2.18
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

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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
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-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
[5-fluoro-2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 167020544
(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
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
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230353
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1COCCN1c1cc(N2CCC3(CNC3)C2)c2c(F)cnc(-c3ccn[nH]3)c2n1.
What is the InChIKey of (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?
The InChIKey is NZTVPJPEYMAONC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26FN7O/c1-14-10-31-7-6-30(14)18-8-17(29-5-3-22(13-29)11-24-12-22)19-15(23)9-25-20(21(19)27-18)16-2-4-26-28-16/h2,4,8-9,14,24H,3,5-7,10-13H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 423.50 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 170688158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).