6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine

C26H28FN5O2S — CID 90420523

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2ccc(N3CCC4(CC3)OCCO4)cn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H28FN5O2S/c1-2-21-25(28-15-24-30-22(17-35-24)18-3-5-19(27)6-4-18)32-16-20(7-8-23(32)29-21)31-11-9-26(10-12-31)33-13-14-34-26/h3-8,16-17,28H,2,9-15H2,1H3
InChIKeyIHJAIBODCJFNOM-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.11
Rot. Bonds6

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 90420523) has the molecular formula C26H28FN5O2S and a molecular weight of 493.61 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
PubChem CID90420523
Molecular FormulaC26H28FN5O2S
Molecular Weight493.61 g/mol
Exact Mass493.19
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine
SMILESCCc1nc2ccc(N3CCC4(CC3)OCCO4)cn2c1NCc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C26H28FN5O2S/c1-2-21-25(28-15-24-30-22(17-35-24)18-3-5-19(27)6-4-18)32-16-20(7-8-23(32)29-21)31-11-9-26(10-12-31)33-13-14-34-26/h3-8,16-17,28H,2,9-15H2,1H3
InChIKeyIHJAIBODCJFNOM-UHFFFAOYSA-N
XLogP5.11
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine 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 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine (CID 90420523) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine is CCc1nc2ccc(N3CCC4(CC3)OCCO4)cn2c1NCc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is IHJAIBODCJFNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2S/c1-2-21-25(28-15-24-30-22(17-35-24)18-3-5-19(27)6-4-18)32-16-20(7-8-23(32)29-21)31-11-9-26(10-12-31)33-13-14-34-26/h3-8,16-17,28H,2,9-15H2,1H3.
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 493.61 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-ethyl-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 90420523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).