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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Related Compounds

Dorsomorphin
CID 11524144
Taletrectinib
CID 72202474
4-[2-[4-(3-Pyridin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]morpholine
CID 5329453
Methyl substituted pyrazole, 27
CID 23648674
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
5-[2-(dimethylamino)ethoxy]-2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 72202696
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214

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).