(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone

C26H23N5O4 — CID 155560201

IUPAC(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1cc(Cn2cc(C(=O)c3c(-c4ccccc4)nc4ccccn34)nn2)cc(OC)c1OC
InChIInChI=1S/C26H23N5O4/c1-33-20-13-17(14-21(34-2)26(20)35-3)15-30-16-19(28-29-30)25(32)24-23(18-9-5-4-6-10-18)27-22-11-7-8-12-31(22)24/h4-14,16H,15H2,1-3H3
InChIKeyUSBNSWCOBSWTID-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.90
Rot. Bonds8

About (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone

(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone (PubChem CID 155560201) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone.

Molecular Properties

Compound Name(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone
PubChem CID155560201
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Name(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone
SMILESCOc1cc(Cn2cc(C(=O)c3c(-c4ccccc4)nc4ccccn34)nn2)cc(OC)c1OC
InChIInChI=1S/C26H23N5O4/c1-33-20-13-17(14-21(34-2)26(20)35-3)15-30-16-19(28-29-30)25(32)24-23(18-9-5-4-6-10-18)27-22-11-7-8-12-31(22)24/h4-14,16H,15H2,1-3H3
InChIKeyUSBNSWCOBSWTID-UHFFFAOYSA-N
XLogP3.90
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 53379371
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CID 134814244
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
[1-Methyl-2-(4-methylphenyl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 53484068
(1-benzyl-2-(p-tolyl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl)methanone
CID 56671844
N-[(3-imidazo[1,2-a]pyridin-2-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 57326302
[1-Methyl-2-(1-methyl-1H-indol-3-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
CID 66561352
[2-(1H-indol-7-yl)-1H-imidazol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 67120449
(4-Phenyl-1-propyl-1H-imidazol-2-yl)(3,4,5-trimethoxyphenyl)methanone
CID 71716797

Frequently Asked Questions

What is the IUPAC name of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone?
The IUPAC name of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone (CID 155560201) is (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone.
What is the SMILES notation for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone?
The canonical SMILES for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone is COc1cc(Cn2cc(C(=O)c3c(-c4ccccc4)nc4ccccn34)nn2)cc(OC)c1OC.
What is the InChIKey of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone?
The InChIKey is USBNSWCOBSWTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-33-20-13-17(14-21(34-2)26(20)35-3)15-30-16-19(28-29-30)25(32)24-23(18-9-5-4-6-10-18)27-22-11-7-8-12-31(22)24/h4-14,16H,15H2,1-3H3.
What are the key properties of (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone?
(2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone has a molecular weight of 469.50 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylimidazo[1,2-a]pyridin-3-yl)-[1-[(3,4,5-trimethoxyphenyl)methyl]triazol-4-yl]methanone is sourced from PubChem (CID 155560201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).