N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C24H27FN6S — CID 122497267

IUPACN-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2cc(C)c(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6S/c1-4-19-23(29(3)24-28-20(15-32-24)17-5-7-18(25)8-6-17)31-14-21(16(2)13-22(31)27-19)30-11-9-26-10-12-30/h5-8,13-15,26H,4,9-12H2,1-3H3
InChIKeyDMBGBLCWRHLPDU-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.65
Rot. Bonds5

About N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 122497267) has the molecular formula C24H27FN6S and a molecular weight of 450.59 g/mol. Its IUPAC name is N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID122497267
Molecular FormulaC24H27FN6S
Molecular Weight450.59 g/mol
Exact Mass450.20
IUPAC NameN-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2cc(C)c(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C24H27FN6S/c1-4-19-23(29(3)24-28-20(15-32-24)17-5-7-18(25)8-6-17)31-14-21(16(2)13-22(31)27-19)30-11-9-26-10-12-30/h5-8,13-15,26H,4,9-12H2,1-3H3
InChIKeyDMBGBLCWRHLPDU-UHFFFAOYSA-N
XLogP4.65
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 122497267) is N-(2-ethyl-7-methyl-6-piperazin-1-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-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2cc(C)c(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is DMBGBLCWRHLPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6S/c1-4-19-23(29(3)24-28-20(15-32-24)17-5-7-18(25)8-6-17)31-14-21(16(2)13-22(31)27-19)30-11-9-26-10-12-30/h5-8,13-15,26H,4,9-12H2,1-3H3.
What are the key properties of N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 450.59 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-7-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 122497267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).