tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate

C27H36N4O3 — CID 59843257

IUPACtert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccccc1-c1cn2cccc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C27H36N4O3/c1-27(2,3)34-26(32)29(4)17-18-30-15-12-20(13-16-30)21-10-8-14-31-19-23(28-25(21)31)22-9-6-7-11-24(22)33-5/h6-11,14,19-20H,12-13,15-18H2,1-5H3
InChIKeyGSVWRKQWNHCTTE-UHFFFAOYSA-N
MW464.61 g/mol
LogP5.06
Rot. Bonds6

About tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate

tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate (PubChem CID 59843257) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
PubChem CID59843257
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Nametert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate
SMILESCOc1ccccc1-c1cn2cccc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)c2n1
InChIInChI=1S/C27H36N4O3/c1-27(2,3)34-26(32)29(4)17-18-30-15-12-20(13-16-30)21-10-8-14-31-19-23(28-25(21)31)22-9-6-7-11-24(22)33-5/h6-11,14,19-20H,12-13,15-18H2,1-5H3
InChIKeyGSVWRKQWNHCTTE-UHFFFAOYSA-N
XLogP5.06
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate (CID 59843257) is tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate is COc1ccccc1-c1cn2cccc(C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)c2n1.
What is the InChIKey of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
The InChIKey is GSVWRKQWNHCTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-27(2,3)34-26(32)29(4)17-18-30-15-12-20(13-16-30)21-10-8-14-31-19-23(28-25(21)31)22-9-6-7-11-24(22)33-5/h6-11,14,19-20H,12-13,15-18H2,1-5H3.
What are the key properties of tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate?
tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate has a molecular weight of 464.61 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]piperidin-1-yl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 59843257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).