(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

C30H34N6O2 — CID 147388674

IUPAC(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
SMILESCOc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(C(C)C)cc3)nc3ncccn23)n1
InChIInChI=1S/C30H34N6O2/c1-19(2)21-7-9-22(10-8-21)28-25(35-15-5-14-31-30(35)33-28)18-34-16-24-12-11-23(34)17-36(24)29(37)27-20(3)6-13-26(32-27)38-4/h5-10,13-15,19,23-24H,11-12,16-18H2,1-4H3
InChIKeyDMKQQNXPDITBNA-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.72
Rot. Bonds6

About (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 147388674) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID147388674
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
SMILESCOc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(C(C)C)cc3)nc3ncccn23)n1
InChIInChI=1S/C30H34N6O2/c1-19(2)21-7-9-22(10-8-21)28-25(35-15-5-14-31-30(35)33-28)18-34-16-24-12-11-23(34)17-36(24)29(37)27-20(3)6-13-26(32-27)38-4/h5-10,13-15,19,23-24H,11-12,16-18H2,1-4H3
InChIKeyDMKQQNXPDITBNA-UHFFFAOYSA-N
XLogP4.72
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (CID 147388674) is (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is COc1ccc(C)c(C(=O)N2CC3CCC2CN3Cc2c(-c3ccc(C(C)C)cc3)nc3ncccn23)n1.
What is the InChIKey of (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is DMKQQNXPDITBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-19(2)21-7-9-22(10-8-21)28-25(35-15-5-14-31-30(35)33-28)18-34-16-24-12-11-23(34)17-36(24)29(37)27-20(3)6-13-26(32-27)38-4/h5-10,13-15,19,23-24H,11-12,16-18H2,1-4H3.
What are the key properties of (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
(6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 510.64 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-methyl-2-pyridinyl)-[5-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 147388674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).