[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone

C24H30FN5O3 — CID 166131372

IUPAC[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C)CC2)C1
InChIInChI=1S/C24H30FN5O3/c1-17-13-32-10-9-30(17)23(31)19-11-18(25)3-4-20(19)33-21-12-26-16-27-22(21)29-14-24(15-29)5-7-28(2)8-6-24/h3-4,11-12,16-17H,5-10,13-15H2,1-2H3/t17-/m0/s1
InChIKeyMAPGUPRRMWQKIO-KRWDZBQOSA-N
MW455.53 g/mol
LogP2.80
Rot. Bonds4

About [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone

[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 166131372) has the molecular formula C24H30FN5O3 and a molecular weight of 455.53 g/mol. Its IUPAC name is [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID166131372
Molecular FormulaC24H30FN5O3
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESC[C@H]1COCCN1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C)CC2)C1
InChIInChI=1S/C24H30FN5O3/c1-17-13-32-10-9-30(17)23(31)19-11-18(25)3-4-20(19)33-21-12-26-16-27-22(21)29-14-24(15-29)5-7-28(2)8-6-24/h3-4,11-12,16-17H,5-10,13-15H2,1-2H3/t17-/m0/s1
InChIKeyMAPGUPRRMWQKIO-KRWDZBQOSA-N
XLogP2.80
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[5-[2-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]-4-fluorophenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 166131259
N-[(3R,6S)-6-[[2-[5-[2-[(3S,5R)-3,5-dimethylmorpholine-4-carbonyl]-4-fluorophenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]oxan-3-yl]oxetane-3-sulfonamide
CID 166131374
(2S)-N-[(3R,6S)-6-[[2-[5-[2-[(3R,5R)-3,5-dimethylmorpholine-4-carbonyl]-4-fluorophenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]oxan-3-yl]-2-methylpyrrolidine-1-sulfonamide
CID 167320967
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone
CID 166131272
5-fluoro-2-[4-(6-hydroxy-2-azaspiro[3.3]heptan-2-yl)pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
CID 176925331
[2-[4-[6-(6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-4-yloxy)-2-azaspiro[3.3]heptan-2-yl]pyrimidin-5-yl]oxy-5-fluorophenyl]-[(3R,5R)-3,5-dimethylmorpholin-4-yl]methanone;hydrochloride
CID 176925322
7-[[(2S,5R)-5-[azetidin-1-yl(sulfinato)amino]oxan-2-yl]methyl]-2-[5-[4-fluoro-2-[[(3S)-oxolan-3-yl]-propan-2-ylcarbamoyl]phenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane
CID 174217840
lithium 5-fluoro-2-[4-[7-[[(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxybenzoate
CID 166131361
5-fluoro-2-[4-[7-[(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.1]heptane-3-carbonyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-N,N-di(propan-2-yl)benzamide
CID 146565019
2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride
CID 166150942
tert-butyl 2-[5-[4-fluoro-2-[2-hydroxyethyl(propan-2-yl)carbamoyl]phenoxy]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 169225569
2-[4-[7-[[1-(2,6-diazaspiro[3.4]octan-6-ylsulfonyl)piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide
CID 171059741

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone (CID 166131372) is [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone is C[C@H]1COCCN1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C)CC2)C1.
What is the InChIKey of [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is MAPGUPRRMWQKIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H30FN5O3/c1-17-13-32-10-9-30(17)23(31)19-11-18(25)3-4-20(19)33-21-12-26-16-27-22(21)29-14-24(15-29)5-7-28(2)8-6-24/h3-4,11-12,16-17H,5-10,13-15H2,1-2H3/t17-/m0/s1.
What are the key properties of [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone?
[5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone has a molecular weight of 455.53 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[4-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxyphenyl]-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 166131372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).