ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate

C23H21N3O2S — CID 134241841

IUPACethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-2-28-22(27)14-29-23-25-19-13-24-12-11-21(19)26(23)20-10-9-16(15-7-8-15)17-5-3-4-6-18(17)20/h3-6,9-13,15H,2,7-8,14H2,1H3
InChIKeyYLCPRGQERNHFAJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.11
Rot. Bonds6

About ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate

ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate (PubChem CID 134241841) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate
PubChem CID134241841
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Nameethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C23H21N3O2S/c1-2-28-22(27)14-29-23-25-19-13-24-12-11-21(19)26(23)20-10-9-16(15-7-8-15)17-5-3-4-6-18(17)20/h3-6,9-13,15H,2,7-8,14H2,1H3
InChIKeyYLCPRGQERNHFAJ-UHFFFAOYSA-N
XLogP5.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate with MolForge

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Related Compounds

1-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylcyclobutane-1-carboxylic acid
CID 162669596
ethyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate;methyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 161149873
2-[1-(4-cyanonaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 162662413
methyl 2-[[5-amino-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 59763691
ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 134241898
bromo 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 91527510
CID 89085992
CID 89085992
ethyl 2-[[4-(4-cyclopropylnaphthalen-1-yl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate
CID 58491079
CID 131844925
CID 131844925
2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-propylsulfonylacetamide
CID 162671520
ethyl 2-[3-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-4-oxoquinazolin-2-yl]sulfanylacetate
CID 11911189
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 143812695

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate (CID 134241841) is ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate is CCOC(=O)CSc1nc2cnccc2n1-c1ccc(C2CC2)c2ccccc12.
What is the InChIKey of ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate?
The InChIKey is YLCPRGQERNHFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-2-28-22(27)14-29-23-25-19-13-24-12-11-21(19)26(23)20-10-9-16(15-7-8-15)17-5-3-4-6-18(17)20/h3-6,9-13,15H,2,7-8,14H2,1H3.
What are the key properties of ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate?
ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate has a molecular weight of 403.51 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetate is sourced from PubChem (CID 134241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).