4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine

C24H27ClN4O4 — CID 172568762

IUPAC4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCOc1ccc(Cn2c(C3=CCCOC3)nc3c(N4CCOCC4)cc(Cl)nc32)c(OC)c1
InChIInChI=1S/C24H27ClN4O4/c1-30-18-6-5-16(20(12-18)31-2)14-29-23(17-4-3-9-33-15-17)27-22-19(13-21(25)26-24(22)29)28-7-10-32-11-8-28/h4-6,12-13H,3,7-11,14-15H2,1-2H3
InChIKeyLMLXLPCSIFKWSJ-UHFFFAOYSA-N
MW470.96 g/mol
LogP3.79
Rot. Bonds6

About 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine

4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine (PubChem CID 172568762) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine
PubChem CID172568762
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine
SMILESCOc1ccc(Cn2c(C3=CCCOC3)nc3c(N4CCOCC4)cc(Cl)nc32)c(OC)c1
InChIInChI=1S/C24H27ClN4O4/c1-30-18-6-5-16(20(12-18)31-2)14-29-23(17-4-3-9-33-15-17)27-22-19(13-21(25)26-24(22)29)28-7-10-32-11-8-28/h4-6,12-13H,3,7-11,14-15H2,1-2H3
InChIKeyLMLXLPCSIFKWSJ-UHFFFAOYSA-N
XLogP3.79
TPSA70.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The IUPAC name of 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine (CID 172568762) is 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine.
What is the SMILES notation for 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The canonical SMILES for 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine is COc1ccc(Cn2c(C3=CCCOC3)nc3c(N4CCOCC4)cc(Cl)nc32)c(OC)c1.
What is the InChIKey of 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
The InChIKey is LMLXLPCSIFKWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-30-18-6-5-16(20(12-18)31-2)14-29-23(17-4-3-9-33-15-17)27-22-19(13-21(25)26-24(22)29)28-7-10-32-11-8-28/h4-6,12-13H,3,7-11,14-15H2,1-2H3.
What are the key properties of 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine?
4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine has a molecular weight of 470.96 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(3,6-dihydro-2H-pyran-5-yl)-3-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-b]pyridin-7-yl]morpholine is sourced from PubChem (CID 172568762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).