N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

C23H18N4O — CID 59321077

IUPACN-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CC#N)c4)ccn23)c1
InChIInChI=1S/C23H18N4O/c1-16(28)26-21-7-3-6-20(13-21)22-15-25-23-14-19(9-11-27(22)23)18-5-2-4-17(12-18)8-10-24/h2-7,9,11-15H,8H2,1H3,(H,26,28)
InChIKeyKXSGKDANOKOBAW-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.69
Rot. Bonds4

About N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide

N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (PubChem CID 59321077) has the molecular formula C23H18N4O and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
PubChem CID59321077
Molecular FormulaC23H18N4O
Molecular Weight366.42 g/mol
Exact Mass366.15
IUPAC NameN-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CC#N)c4)ccn23)c1
InChIInChI=1S/C23H18N4O/c1-16(28)26-21-7-3-6-20(13-21)22-15-25-23-14-19(9-11-27(22)23)18-5-2-4-17(12-18)8-10-24/h2-7,9,11-15H,8H2,1H3,(H,26,28)
InChIKeyKXSGKDANOKOBAW-UHFFFAOYSA-N
XLogP4.69
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[3-[7-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]urea
CID 59321072
[3-[7-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]carbamic acid
CID 91112338
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
1-ethyl-3-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]urea
CID 59320921
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
[ethyl-[[3-[7-[3-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]carbamoyl]amino] formate
CID 87510232
1-[3-[7-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321171
N-[3-[7-(6-ethoxy-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-4,4,4-trifluorobutanamide
CID 159389279
N-[3-[6-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 59320970
1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59321130
1-ethyl-3-[3-[7-(4-piperazin-1-ylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]urea;molecular hydrogen
CID 143706851
1-[3-[7-(5-methyl-1,3-oxazol-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 59320919

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide (CID 59321077) is N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnc3cc(-c4cccc(CC#N)c4)ccn23)c1.
What is the InChIKey of N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
The InChIKey is KXSGKDANOKOBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O/c1-16(28)26-21-7-3-6-20(13-21)22-15-25-23-14-19(9-11-27(22)23)18-5-2-4-17(12-18)8-10-24/h2-7,9,11-15H,8H2,1H3,(H,26,28).
What are the key properties of N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide?
N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[3-(cyanomethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide is sourced from PubChem (CID 59321077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).