3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide

C27H26N6O — CID 142784535

IUPAC3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCN(C)CCc1cc(C(N)=O)ccc1-c1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1
InChIInChI=1S/C27H26N6O/c1-31(2)13-9-19-15-22(27(28)34)7-8-24(19)20-10-14-32-25(18-29-26(32)17-20)21-5-3-6-23(16-21)33-12-4-11-30-33/h3-8,10-12,14-18H,9,13H2,1-2H3,(H2,28,34)
InChIKeyYWDKAALOJMTJMX-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.06
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide

3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide (PubChem CID 142784535) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide
PubChem CID142784535
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide
SMILESCN(C)CCc1cc(C(N)=O)ccc1-c1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1
InChIInChI=1S/C27H26N6O/c1-31(2)13-9-19-15-22(27(28)34)7-8-24(19)20-10-14-32-25(18-29-26(32)17-20)21-5-3-6-23(16-21)33-12-4-11-30-33/h3-8,10-12,14-18H,9,13H2,1-2H3,(H2,28,34)
InChIKeyYWDKAALOJMTJMX-UHFFFAOYSA-N
XLogP4.06
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]ethyl]benzoic acid
CID 174615942
3-[7-[3-(ethylamino)-2-methylphenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 174600872
7-chloro-3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridine;3-(3-pyrazol-1-ylphenyl)-7-pyridin-3-ylimidazo[1,2-a]pyridine
CID 160598065
3-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]benzamide
CID 59320936
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
CID 162627810
2-[3-[7-(4-amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]acetamide
CID 162017534
1-[2-[3-[3-(methylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidin-5-yl]ethanone
CID 138548206
5-[7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]thiophene-2-carboxamide
CID 164622155
ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
3-imidazo[1,2-a]pyridin-5-ylbenzamide
CID 46948491
3-imidazo[1,2-a]pyrazin-3-yl-N,N-dimethylbenzamide
CID 162626496

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide (CID 142784535) is 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide is CN(C)CCc1cc(C(N)=O)ccc1-c1ccn2c(-c3cccc(-n4cccn4)c3)cnc2c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide?
The InChIKey is YWDKAALOJMTJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-31(2)13-9-19-15-22(27(28)34)7-8-24(19)20-10-14-32-25(18-29-26(32)17-20)21-5-3-6-23(16-21)33-12-4-11-30-33/h3-8,10-12,14-18H,9,13H2,1-2H3,(H2,28,34).
What are the key properties of 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide?
3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide has a molecular weight of 450.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-4-[3-(3-pyrazol-1-ylphenyl)imidazo[1,2-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 142784535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).