ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate

C29H30FN9O4 — CID 157078378

IUPACethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate
SMILESCCOC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4c(-n5cnnn5)ccc(OC)c4F)nn3)nc12
InChIInChI=1S/C29H30FN9O4/c1-3-43-27(41)11-6-19-12-20(18-4-5-18)13-37-14-21(32-29(19)37)15-38-16-23(33-35-38)25(40)9-7-22-24(39-17-31-34-36-39)8-10-26(42-2)28(22)30/h8,10,12-14,16-18H,3-7,9,11,15H2,1-2H3
InChIKeyADFYCRKCYYQPMI-UHFFFAOYSA-N
MW587.62 g/mol
LogP3.29
Rot. Bonds13

About ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate

ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate (PubChem CID 157078378) has the molecular formula C29H30FN9O4 and a molecular weight of 587.62 g/mol. Its IUPAC name is ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate
PubChem CID157078378
Molecular FormulaC29H30FN9O4
Molecular Weight587.62 g/mol
Exact Mass587.24
IUPAC Nameethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate
SMILESCCOC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4c(-n5cnnn5)ccc(OC)c4F)nn3)nc12
InChIInChI=1S/C29H30FN9O4/c1-3-43-27(41)11-6-19-12-20(18-4-5-18)13-37-14-21(32-29(19)37)15-38-16-23(33-35-38)25(40)9-7-22-24(39-17-31-34-36-39)8-10-26(42-2)28(22)30/h8,10,12-14,16-18H,3-7,9,11,15H2,1-2H3
InChIKeyADFYCRKCYYQPMI-UHFFFAOYSA-N
XLogP3.29
TPSA144.21 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.62
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?
The IUPAC name of ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate (CID 157078378) is ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate.
What is the SMILES notation for ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?
The canonical SMILES for ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate is CCOC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4c(-n5cnnn5)ccc(OC)c4F)nn3)nc12.
What is the InChIKey of ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?
The InChIKey is ADFYCRKCYYQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN9O4/c1-3-43-27(41)11-6-19-12-20(18-4-5-18)13-37-14-21(32-29(19)37)15-38-16-23(33-35-38)25(40)9-7-22-24(39-17-31-34-36-39)8-10-26(42-2)28(22)30/h8,10,12-14,16-18H,3-7,9,11,15H2,1-2H3.
What are the key properties of ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?
ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate has a molecular weight of 587.62 g/mol, XLogP of 3.29, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate is sourced from PubChem (CID 157078378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).