N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide

C25H23N5O2S — CID 90570127

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide
SMILESO=C(CC1CSc2nc3c(c(=O)n21)CCC3)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C25H23N5O2S/c31-23(13-18-16-33-25-27-21-10-6-9-20(21)24(32)30(18)25)29(17-7-2-1-3-8-17)15-19-14-26-22-11-4-5-12-28(19)22/h1-5,7-8,11-12,14,18H,6,9-10,13,15-16H2
InChIKeyBRQCQABYPBZKEX-UHFFFAOYSA-N
MW457.56 g/mol
LogP3.65
Rot. Bonds5

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide (PubChem CID 90570127) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide
PubChem CID90570127
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide
SMILESO=C(CC1CSc2nc3c(c(=O)n21)CCC3)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C25H23N5O2S/c31-23(13-18-16-33-25-27-21-10-6-9-20(21)24(32)30(18)25)29(17-7-2-1-3-8-17)15-19-14-26-22-11-4-5-12-28(19)22/h1-5,7-8,11-12,14,18H,6,9-10,13,15-16H2
InChIKeyBRQCQABYPBZKEX-UHFFFAOYSA-N
XLogP3.65
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
CID 90570258
2-benzylsulfanyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylacetamide
CID 71802014
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)-N-phenylacetamide
CID 90570280
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylnaphthalene-1-carboxamide
CID 90570201
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,5-dimethyl-N-phenylbenzamide
CID 90570160
N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetamide
CID 90579229
(3S)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 42065677
12-[2-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 121113890
4-[3-[[2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)acetyl]amino]prop-1-ynyl]benzamide
CID 90549708
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
CID 90570183
(2R)-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-phenoxy-N-phenylpropanamide
CID 97416750
methyl 4-[imidazo[1,2-a]pyridin-3-ylmethyl(phenyl)carbamoyl]benzoate
CID 90570118

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide (CID 90570127) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide is O=C(CC1CSc2nc3c(c(=O)n21)CCC3)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide?
The InChIKey is BRQCQABYPBZKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c31-23(13-18-16-33-25-27-21-10-6-9-20(21)24(32)30(18)25)29(17-7-2-1-3-8-17)15-19-14-26-22-11-4-5-12-28(19)22/h1-5,7-8,11-12,14,18H,6,9-10,13,15-16H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide has a molecular weight of 457.56 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-(2-oxo-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-12-yl)-N-phenylacetamide is sourced from PubChem (CID 90570127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).