methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate

C24H22N4O4 — CID 58459382

IUPACmethyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3cccnc3)n12
InChIInChI=1S/C24H22N4O4/c1-16(26-24(30)32-15-17-8-4-3-5-9-17)21-22(18-10-7-13-25-14-18)28-19(23(29)31-2)11-6-12-20(28)27-21/h3-14,16H,15H2,1-2H3,(H,26,30)/t16-/m0/s1
InChIKeyNWCYHAUPIUKHOH-INIZCTEOSA-N
MW430.46 g/mol
LogP4.17
Rot. Bonds6

About methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate

methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 58459382) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate
PubChem CID58459382
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Namemethyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3cccnc3)n12
InChIInChI=1S/C24H22N4O4/c1-16(26-24(30)32-15-17-8-4-3-5-9-17)21-22(18-10-7-13-25-14-18)28-19(23(29)31-2)11-6-12-20(28)27-21/h3-14,16H,15H2,1-2H3,(H,26,30)/t16-/m0/s1
InChIKeyNWCYHAUPIUKHOH-INIZCTEOSA-N
XLogP4.17
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate (CID 58459382) is methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc([C@H](C)NC(=O)OCc3ccccc3)c(-c3cccnc3)n12.
What is the InChIKey of methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is NWCYHAUPIUKHOH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-16(26-24(30)32-15-17-8-4-3-5-9-17)21-22(18-10-7-13-25-14-18)28-19(23(29)31-2)11-6-12-20(28)27-21/h3-14,16H,15H2,1-2H3,(H,26,30)/t16-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate?
methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 58459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).