ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate

C25H25N3O2S — CID 134241836

IUPACethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1nc2cccnc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C25H25N3O2S/c1-4-30-23(29)25(2,3)31-24-27-20-10-7-15-26-22(20)28(24)21-14-13-17(16-11-12-16)18-8-5-6-9-19(18)21/h5-10,13-16H,4,11-12H2,1-3H3
InChIKeyDDNPKHNVROMVRU-UHFFFAOYSA-N
MW431.56 g/mol
LogP5.88
Rot. Bonds6

About ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate

ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate (PubChem CID 134241836) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate
PubChem CID134241836
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Nameethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1nc2cccnc2n1-c1ccc(C2CC2)c2ccccc12
InChIInChI=1S/C25H25N3O2S/c1-4-30-23(29)25(2,3)31-24-27-20-10-7-15-26-22(20)28(24)21-14-13-17(16-11-12-16)18-8-5-6-9-19(18)21/h5-10,13-16H,4,11-12H2,1-3H3
InChIKeyDDNPKHNVROMVRU-UHFFFAOYSA-N
XLogP5.88
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate 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

URAT1 inhibitor 2
CID 163322044
2-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
CID 134241820
2-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-c]pyridin-2-yl]sulfanylpropanoic acid
CID 134241904
3-[1-[(4-Cyclopropylnaphthalen-1-yl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
CID 168275350
3-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]oxypropanoic acid
CID 168275508
1-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]oxycyclobutane-1-carboxylic acid
CID 168284359
2-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]oxypropanoic acid
CID 168286050
2-[1-(4-Cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]oxy-2-methylpropanoic acid
CID 168290195
2-[1-[(4-Cyclopropylnaphthalen-1-yl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 168291231
Ethyl 2-methyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoate
CID 134241822
4-[3-(2,4,6-Trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylbutanoic acid
CID 134241823
2-[3-(2,4,6-Trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
CID 134241824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate (CID 134241836) is ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate is CCOC(=O)C(C)(C)Sc1nc2cccnc2n1-c1ccc(C2CC2)c2ccccc12.
What is the InChIKey of ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate?
The InChIKey is DDNPKHNVROMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-4-30-23(29)25(2,3)31-24-27-20-10-7-15-26-22(20)28(24)21-14-13-17(16-11-12-16)18-8-5-6-9-19(18)21/h5-10,13-16H,4,11-12H2,1-3H3.
What are the key properties of ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate?
ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate has a molecular weight of 431.56 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-cyclopropylnaphthalen-1-yl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoate is sourced from PubChem (CID 134241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).