3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one

C19H23N7O — CID 126911310

IUPAC3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one
SMILESCn1cncc(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)c1=O
InChIInChI=1S/C19H23N7O/c1-24-12-20-10-15(19(24)27)11-25-7-5-13(6-8-25)18-22-21-17-9-14-3-2-4-16(14)23-26(17)18/h9-10,12-13H,2-8,11H2,1H3
InChIKeyGDLGKSKFKBSVIV-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.09
Rot. Bonds3

About 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one

3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one (PubChem CID 126911310) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one
PubChem CID126911310
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one
SMILESCn1cncc(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)c1=O
InChIInChI=1S/C19H23N7O/c1-24-12-20-10-15(19(24)27)11-25-7-5-13(6-8-25)18-22-21-17-9-14-3-2-4-16(14)23-26(17)18/h9-10,12-13H,2-8,11H2,1H3
InChIKeyGDLGKSKFKBSVIV-UHFFFAOYSA-N
XLogP1.09
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

1-methyl-6-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrazin-2-one
CID 126911307
5-[[4-(6-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-3-methylpyrimidin-4-one
CID 126911027
12-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911358
5-propan-2-yl-4-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 126911341
3-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]azepan-2-one
CID 126911379
3-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126911383
4-methoxy-1-methyl-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidine-1-carbonyl]pyridin-2-one
CID 126911212
(3-methoxy-1-methylpyrazol-4-yl)-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methanone
CID 126911164
12-(1-pyrimidin-4-ylpiperidin-4-yl)-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911401
2-(methoxymethyl)-5-[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]-1,3,4-thiadiazole
CID 126911405
12-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911272
12-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]-1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 126911220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one (CID 126911310) is 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one is Cn1cncc(CN2CCC(c3nnc4cc5c(nn34)CCC5)CC2)c1=O.
What is the InChIKey of 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one?
The InChIKey is GDLGKSKFKBSVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-24-12-20-10-15(19(24)27)11-25-7-5-13(6-8-25)18-22-21-17-9-14-3-2-4-16(14)23-26(17)18/h9-10,12-13H,2-8,11H2,1H3.
What are the key properties of 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one?
3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one has a molecular weight of 365.44 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[4-(1,2,10,11-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-12-yl)piperidin-1-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126911310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).