4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine

C29H29N5O2 — CID 118710928

IUPAC4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
SMILESCOc1ccc(-c2c(-c3ccncc3)n3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1
InChIInChI=1S/C29H29N5O2/c1-32-27(22-8-10-24(35-2)11-9-22)28(23-12-14-30-15-13-23)34-29(32)25(20-33-16-18-36-19-17-33)26(31-34)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3
InChIKeyYAGUNXZVPPQGBR-UHFFFAOYSA-N
MW479.58 g/mol
LogP4.91
Rot. Bonds6

About 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine

4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine (PubChem CID 118710928) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
PubChem CID118710928
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine
SMILESCOc1ccc(-c2c(-c3ccncc3)n3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1
InChIInChI=1S/C29H29N5O2/c1-32-27(22-8-10-24(35-2)11-9-22)28(23-12-14-30-15-13-23)34-29(32)25(20-33-16-18-36-19-17-33)26(31-34)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3
InChIKeyYAGUNXZVPPQGBR-UHFFFAOYSA-N
XLogP4.91
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine (CID 118710928) is 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine is COc1ccc(-c2c(-c3ccncc3)n3nc(-c4ccccc4)c(CN4CCOCC4)c3n2C)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine?
The InChIKey is YAGUNXZVPPQGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-32-27(22-8-10-24(35-2)11-9-22)28(23-12-14-30-15-13-23)34-29(32)25(20-33-16-18-36-19-17-33)26(31-34)21-6-4-3-5-7-21/h3-15H,16-20H2,1-2H3.
What are the key properties of 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine?
4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine has a molecular weight of 479.58 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazol-7-yl]methyl]morpholine is sourced from PubChem (CID 118710928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).