N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C24H26FN5S — CID 78427518

IUPACN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16,26H,3,10-13H2,1-2H3
InChIKeyHDJUVOYCFJOWKZ-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.39
Rot. Bonds5

About N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427518) has the molecular formula C24H26FN5S and a molecular weight of 435.57 g/mol. Its IUPAC name is N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID78427518
Molecular FormulaC24H26FN5S
Molecular Weight435.57 g/mol
Exact Mass435.19
IUPAC NameN-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16,26H,3,10-13H2,1-2H3
InChIKeyHDJUVOYCFJOWKZ-UHFFFAOYSA-N
XLogP5.39
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78427518) is N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HDJUVOYCFJOWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16,26H,3,10-13H2,1-2H3.
What are the key properties of N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 435.57 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).