N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C27H29FN8S — CID 90420651

IUPACN-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(Cc4cnc[nH]4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30)
InChIKeyREMDJYSRAUFISE-UHFFFAOYSA-N
MW516.65 g/mol
LogP4.97
Rot. Bonds7

About N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 90420651) has the molecular formula C27H29FN8S and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID90420651
Molecular FormulaC27H29FN8S
Molecular Weight516.65 g/mol
Exact Mass516.22
IUPAC NameN-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc2ccc(N3CCN(Cc4cnc[nH]4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30)
InChIKeyREMDJYSRAUFISE-UHFFFAOYSA-N
XLogP4.97
TPSA68.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 90420651) is N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[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-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(Cc4cnc[nH]4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is REMDJYSRAUFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8S/c1-3-23-26(33(2)27-32-24(17-37-27)19-4-6-20(28)7-5-19)36-16-22(8-9-25(36)31-23)35-12-10-34(11-13-35)15-21-14-29-18-30-21/h4-9,14,16-18H,3,10-13,15H2,1-2H3,(H,29,30).
What are the key properties of N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 516.65 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-6-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 90420651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).