benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C28H27N3O3 — CID 59843173

IUPACbenzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccccc1-c1cn2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc(C)c2n1
InChIInChI=1S/C28H27N3O3/c1-20-16-23(17-31-18-25(29-27(20)31)24-10-6-7-11-26(24)33-2)22-12-14-30(15-13-22)28(32)34-19-21-8-4-3-5-9-21/h3-12,16-18H,13-15,19H2,1-2H3
InChIKeyPXOUOBUFZFOSSY-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.74
Rot. Bonds5

About benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59843173) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59843173
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Namebenzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccccc1-c1cn2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc(C)c2n1
InChIInChI=1S/C28H27N3O3/c1-20-16-23(17-31-18-25(29-27(20)31)24-10-6-7-11-26(24)33-2)22-12-14-30(15-13-22)28(32)34-19-21-8-4-3-5-9-21/h3-12,16-18H,13-15,19H2,1-2H3
InChIKeyPXOUOBUFZFOSSY-UHFFFAOYSA-N
XLogP5.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59843173) is benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1ccccc1-c1cn2cc(C3=CCN(C(=O)OCc4ccccc4)CC3)cc(C)c2n1.
What is the InChIKey of benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PXOUOBUFZFOSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20-16-23(17-31-18-25(29-27(20)31)24-10-6-7-11-26(24)33-2)22-12-14-30(15-13-22)28(32)34-19-21-8-4-3-5-9-21/h3-12,16-18H,13-15,19H2,1-2H3.
What are the key properties of benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 453.54 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[2-(2-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59843173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).