(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

C26H31N5O2 — CID 125009809

IUPAC(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
SMILESCc1ccn2c(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)c(C)nc2c1
InChIInChI=1S/C26H31N5O2/c1-19-9-11-31-24(20(2)27-26(31)15-19)17-30-12-14-33-25(18-30)23-16-21(29(3)28-23)10-13-32-22-7-5-4-6-8-22/h4-9,11,15-16,25H,10,12-14,17-18H2,1-3H3/t25-/m1/s1
InChIKeyVEZDQQQOKFXLDU-RUZDIDTESA-N
MW445.57 g/mol
LogP3.88
Rot. Bonds7

About (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine (PubChem CID 125009809) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine.

Molecular Properties

Compound Name(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
PubChem CID125009809
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
SMILESCc1ccn2c(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)c(C)nc2c1
InChIInChI=1S/C26H31N5O2/c1-19-9-11-31-24(20(2)27-26(31)15-19)17-30-12-14-33-25(18-30)23-16-21(29(3)28-23)10-13-32-22-7-5-4-6-8-22/h4-9,11,15-16,25H,10,12-14,17-18H2,1-3H3/t25-/m1/s1
InChIKeyVEZDQQQOKFXLDU-RUZDIDTESA-N
XLogP3.88
TPSA56.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-4-[2-(4-methylphenoxy)ethyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine
CID 124979333
2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]-4-[(2-propan-2-yloxyphenyl)methyl]morpholine
CID 127248598
(2S)-2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 125016389
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 127248607
2-[5-[2-(2-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-[(2-methoxy-4-methylphenyl)methyl]morpholine
CID 132767016
N-[6-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155984958
(2R)-4-[(2-methoxy-4-methylphenyl)methyl]-2-[5-(2-phenoxyethyl)-1H-pyrazol-3-yl]morpholine
CID 124973703
(2S)-2-[5-[2-(4-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 125001302
(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]-2-[5-[2-(3-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]morpholine
CID 124986280
2-[5-[2-(2-methoxyphenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(2-phenylethyl)morpholine
CID 155983871
(2R)-2-[1-methyl-5-[2-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-3-yl]-4-propylmorpholine
CID 125003381
2-[5-[2-(3-fluorophenoxy)ethyl]-1-methylpyrazol-3-yl]-4-(quinolin-6-ylmethyl)morpholine
CID 127248576

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The IUPAC name of (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine (CID 125009809) is (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine.
What is the SMILES notation for (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The canonical SMILES for (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine is Cc1ccn2c(CN3CCO[C@@H](c4cc(CCOc5ccccc5)n(C)n4)C3)c(C)nc2c1.
What is the InChIKey of (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
The InChIKey is VEZDQQQOKFXLDU-RUZDIDTESA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-9-11-31-24(20(2)27-26(31)15-19)17-30-12-14-33-25(18-30)23-16-21(29(3)28-23)10-13-32-22-7-5-4-6-8-22/h4-9,11,15-16,25H,10,12-14,17-18H2,1-3H3/t25-/m1/s1.
What are the key properties of (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine?
(2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine has a molecular weight of 445.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine is sourced from PubChem (CID 125009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).