N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide

C24H18Cl2N6O — CID 155255000

IUPACN-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H18Cl2N6O/c1-15(33)27-20-12-16(5-10-19(20)26)13-31-14-21(29-30-31)24-23(17-6-8-18(25)9-7-17)28-22-4-2-3-11-32(22)24/h2-12,14H,13H2,1H3,(H,27,33)
InChIKeyAJJMLEKDCBPLLA-UHFFFAOYSA-N
MW477.36 g/mol
LogP5.57
Rot. Bonds5

About N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide

N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide (PubChem CID 155255000) has the molecular formula C24H18Cl2N6O and a molecular weight of 477.36 g/mol. Its IUPAC name is N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
PubChem CID155255000
Molecular FormulaC24H18Cl2N6O
Molecular Weight477.36 g/mol
Exact Mass476.09
IUPAC NameN-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl
InChIInChI=1S/C24H18Cl2N6O/c1-15(33)27-20-12-16(5-10-19(20)26)13-31-14-21(29-30-31)24-23(17-6-8-18(25)9-7-17)28-22-4-2-3-11-32(22)24/h2-12,14H,13H2,1H3,(H,27,33)
InChIKeyAJJMLEKDCBPLLA-UHFFFAOYSA-N
XLogP5.57
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.36
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Saripidem
CID 3058746
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
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CID 11328255
5-amino-N-[3-(5-chloro-2-methylphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063121
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CID 58063225
1-[4-[4-(Aminomethyl)pyrazol-1-yl]-3-chlorophenyl]-3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)urea
CID 118540075
7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 130431343
N-Benzyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-N-methyl-acetamide
CID 11442517
2-[8-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10738832
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(3-chlorophenyl)methyl]propanamide
CID 16009054
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide (CID 155255000) is N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1cc(Cn2cc(-c3c(-c4ccc(Cl)cc4)nc4ccccn34)nn2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
The InChIKey is AJJMLEKDCBPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N6O/c1-15(33)27-20-12-16(5-10-19(20)26)13-31-14-21(29-30-31)24-23(17-6-8-18(25)9-7-17)28-22-4-2-3-11-32(22)24/h2-12,14H,13H2,1H3,(H,27,33).
What are the key properties of N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide?
N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide has a molecular weight of 477.36 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[4-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]triazol-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 155255000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).