11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C20H23N5O — CID 4120134

IUPAC11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc(C)n2cc(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1
InChIInChI=1S/C20H23N5O/c1-13-6-14(2)24-12-17(22-20(24)21-13)11-23-8-15-7-16(10-23)18-4-3-5-19(26)25(18)9-15/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyHBTWGDGEFAVWQN-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.13
Rot. Bonds2

About 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 4120134) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

Compound Name11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
PubChem CID4120134
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
SMILESCc1cc(C)n2cc(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1
InChIInChI=1S/C20H23N5O/c1-13-6-14(2)24-12-17(22-20(24)21-13)11-23-8-15-7-16(10-23)18-4-3-5-19(26)25(18)9-15/h3-6,12,15-16H,7-11H2,1-2H3
InChIKeyHBTWGDGEFAVWQN-UHFFFAOYSA-N
XLogP2.13
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The IUPAC name of 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 4120134) is 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.
What is the SMILES notation for 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The canonical SMILES for 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is Cc1cc(C)n2cc(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1.
What is the InChIKey of 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
The InChIKey is HBTWGDGEFAVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-6-14(2)24-12-17(22-20(24)21-13)11-23-8-15-7-16(10-23)18-4-3-5-19(26)25(18)9-15/h3-6,12,15-16H,7-11H2,1-2H3.
What are the key properties of 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?
11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 349.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 4120134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).