2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine

C27H25N5O — CID 142306273

IUPAC2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
SMILESCC1CN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cn2)CC(C)O1
InChIInChI=1S/C27H25N5O/c1-18-16-31(17-19(2)33-18)26-8-7-21(14-29-26)20-10-12-32-25(15-30-27(32)13-20)23-9-11-28-24-6-4-3-5-22(23)24/h3-15,18-19H,16-17H2,1-2H3
InChIKeyCPYXFLBBSMOHCP-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.23
Rot. Bonds3

About 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine

2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine (PubChem CID 142306273) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
PubChem CID142306273
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine
SMILESCC1CN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cn2)CC(C)O1
InChIInChI=1S/C27H25N5O/c1-18-16-31(17-19(2)33-18)26-8-7-21(14-29-26)20-10-12-32-25(15-30-27(32)13-20)23-9-11-28-24-6-4-3-5-22(23)24/h3-15,18-19H,16-17H2,1-2H3
InChIKeyCPYXFLBBSMOHCP-UHFFFAOYSA-N
XLogP5.23
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine (CID 142306273) is 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine is CC1CN(c2ccc(-c3ccn4c(-c5ccnc6ccccc56)cnc4c3)cn2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine?
The InChIKey is CPYXFLBBSMOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-18-16-31(17-19(2)33-18)26-8-7-21(14-29-26)20-10-12-32-25(15-30-27(32)13-20)23-9-11-28-24-6-4-3-5-22(23)24/h3-15,18-19H,16-17H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine?
2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine has a molecular weight of 435.53 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[5-(3-quinolin-4-ylimidazo[1,2-a]pyridin-7-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 142306273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).