(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine

C28H27N5O — CID 139326529

IUPAC(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C28H27N5O/c1-18-12-24(23-6-4-5-7-25(23)31-18)26-15-30-28-13-21(10-11-33(26)28)22-8-9-27(29-14-22)32-16-19(2)34-20(3)17-32/h4-15,19-20H,16-17H2,1-3H3/t19-,20+
InChIKeySGXWIIOEPKRLTN-BGYRXZFFSA-N
MW449.56 g/mol
LogP5.53
Rot. Bonds3

About (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine

(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine (PubChem CID 139326529) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine
PubChem CID139326529
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine
SMILESCc1cc(-c2cnc3cc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)ccn23)c2ccccc2n1
InChIInChI=1S/C28H27N5O/c1-18-12-24(23-6-4-5-7-25(23)31-18)26-15-30-28-13-21(10-11-33(26)28)22-8-9-27(29-14-22)32-16-19(2)34-20(3)17-32/h4-15,19-20H,16-17H2,1-3H3/t19-,20+
InChIKeySGXWIIOEPKRLTN-BGYRXZFFSA-N
XLogP5.53
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine (CID 139326529) is (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine is Cc1cc(-c2cnc3cc(-c4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4)ccn23)c2ccccc2n1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine?
The InChIKey is SGXWIIOEPKRLTN-BGYRXZFFSA-N. The full InChI is InChI=1S/C28H27N5O/c1-18-12-24(23-6-4-5-7-25(23)31-18)26-15-30-28-13-21(10-11-33(26)28)22-8-9-27(29-14-22)32-16-19(2)34-20(3)17-32/h4-15,19-20H,16-17H2,1-3H3/t19-,20+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine has a molecular weight of 449.56 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[5-[3-(2-methylquinolin-4-yl)imidazo[1,2-a]pyridin-7-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 139326529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).