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

C27H25N3O3 — CID 59843207

IUPACbenzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccccc1-c1cn2cccc(C3=CCN(C(=O)OCc4ccccc4)CC3)c2n1
InChIInChI=1S/C27H25N3O3/c1-32-25-12-6-5-10-23(25)24-18-30-15-7-11-22(26(30)28-24)21-13-16-29(17-14-21)27(31)33-19-20-8-3-2-4-9-20/h2-13,15,18H,14,16-17,19H2,1H3
InChIKeyPJMYKSWDABKCHY-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.44
Rot. Bonds5

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

benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 59843207) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID59843207
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Namebenzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOc1ccccc1-c1cn2cccc(C3=CCN(C(=O)OCc4ccccc4)CC3)c2n1
InChIInChI=1S/C27H25N3O3/c1-32-25-12-6-5-10-23(25)24-18-30-15-7-11-22(26(30)28-24)21-13-16-29(17-14-21)27(31)33-19-20-8-3-2-4-9-20/h2-13,15,18H,14,16-17,19H2,1H3
InChIKeyPJMYKSWDABKCHY-UHFFFAOYSA-N
XLogP5.44
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.44
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)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 59843207) is benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COc1ccccc1-c1cn2cccc(C3=CCN(C(=O)OCc4ccccc4)CC3)c2n1.
What is the InChIKey of benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PJMYKSWDABKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-32-25-12-6-5-10-23(25)24-18-30-15-7-11-22(26(30)28-24)21-13-16-29(17-14-21)27(31)33-19-20-8-3-2-4-9-20/h2-13,15,18H,14,16-17,19H2,1H3.
What are the key properties of benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
benzyl 4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 5.44, 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)imidazo[1,2-a]pyridin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 59843207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).