[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone

C21H28N6O2 — CID 167865771

IUPAC[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCN1CC(c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)c1ccn(C)c1)C2
InChIInChI=1S/C21H28N6O2/c1-24-6-4-16(11-24)19(28)27-14-21(15-27)13-25(2)12-17(21)18-3-5-22-20(23-18)26-7-9-29-10-8-26/h3-6,11,17H,7-10,12-15H2,1-2H3
InChIKeyPTHIVXXGTOAILP-UHFFFAOYSA-N
MW396.50 g/mol
LogP0.82
Rot. Bonds3

About [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone

[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 167865771) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID167865771
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCN1CC(c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)c1ccn(C)c1)C2
InChIInChI=1S/C21H28N6O2/c1-24-6-4-16(11-24)19(28)27-14-21(15-27)13-25(2)12-17(21)18-3-5-22-20(23-18)26-7-9-29-10-8-26/h3-6,11,17H,7-10,12-15H2,1-2H3
InChIKeyPTHIVXXGTOAILP-UHFFFAOYSA-N
XLogP0.82
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone with MolForge

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Related Compounds

1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]pent-4-en-1-one
CID 146114499
1-[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-2-(1H-pyrazol-4-yl)ethanone
CID 167834086
[5-(2-aminopyrimidin-4-yl)-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)methanone
CID 146114344
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
(3,4-difluorophenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344401
[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109298958
1-[5-(2-aminopyrimidin-4-yl)-7-methyl-2,7-diazaspiro[3.4]octan-2-yl]-2-(4-tert-butylphenyl)ethanone
CID 146114353
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-3-ylmethanone
CID 146070506
(3R,4R)-1-(3-methylpyridine-4-carbonyl)-4-(2-morpholin-4-ylpyrimidin-4-yl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92563403
(3R,4R)-4-(2-morpholin-4-ylpyrimidin-4-yl)-1-[(3S)-oxolane-3-carbonyl]-N-propan-2-ylpyrrolidine-3-carboxamide
CID 92580229
(4-ethoxyphenyl)-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 70703575

Frequently Asked Questions

What is the IUPAC name of [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone (CID 167865771) is [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone is CN1CC(c2ccnc(N3CCOCC3)n2)C2(C1)CN(C(=O)c1ccn(C)c1)C2.
What is the InChIKey of [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is PTHIVXXGTOAILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-24-6-4-16(11-24)19(28)27-14-21(15-27)13-25(2)12-17(21)18-3-5-22-20(23-18)26-7-9-29-10-8-26/h3-6,11,17H,7-10,12-15H2,1-2H3.
What are the key properties of [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone?
[7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 396.50 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-5-(2-morpholin-4-ylpyrimidin-4-yl)-2,7-diazaspiro[3.4]octan-2-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 167865771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).