N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide

C26H22N4O2 — CID 164624196

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1
InChIInChI=1S/C26H22N4O2/c1-17(18-5-9-22(32-2)10-6-18)29-26(31)24-15-28-25-12-8-21(16-30(24)25)19-7-11-23-20(14-19)4-3-13-27-23/h3-17H,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyDWARRSITHQNDEU-KRWDZBQOSA-N
MW422.49 g/mol
LogP5.05
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164624196) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164624196
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1
InChIInChI=1S/C26H22N4O2/c1-17(18-5-9-22(32-2)10-6-18)29-26(31)24-15-28-25-12-8-21(16-30(24)25)19-7-11-23-20(14-19)4-3-13-27-23/h3-17H,1-2H3,(H,29,31)/t17-/m0/s1
InChIKeyDWARRSITHQNDEU-KRWDZBQOSA-N
XLogP5.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 164624196) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc([C@H](C)NC(=O)c2cnc3ccc(-c4ccc5ncccc5c4)cn23)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is DWARRSITHQNDEU-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17(18-5-9-22(32-2)10-6-18)29-26(31)24-15-28-25-12-8-21(16-30(24)25)19-7-11-23-20(14-19)4-3-13-27-23/h3-17H,1-2H3,(H,29,31)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-6-quinolin-6-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164624196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).