N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide

C31H37FN8O2S — CID 78427904

IUPACN-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc2ccc(N3CCN(CC(=O)N4CCC(NC(C)=O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)
InChIKeyRRMGTXIHMYTFJI-UHFFFAOYSA-N
MW604.76 g/mol
LogP3.79
Rot. Bonds8

About N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide

N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 78427904) has the molecular formula C31H37FN8O2S and a molecular weight of 604.76 g/mol. Its IUPAC name is N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
PubChem CID78427904
Molecular FormulaC31H37FN8O2S
Molecular Weight604.76 g/mol
Exact Mass604.27
IUPAC NameN-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide
SMILESCCc1nc2ccc(N3CCN(CC(=O)N4CCC(NC(C)=O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41)
InChIKeyRRMGTXIHMYTFJI-UHFFFAOYSA-N
XLogP3.79
TPSA89.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.76
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide (CID 78427904) is N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide is CCc1nc2ccc(N3CCN(CC(=O)N4CCC(NC(C)=O)C4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is RRMGTXIHMYTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN8O2S/c1-4-26-30(36(3)31-35-27(20-43-31)22-5-7-23(32)8-6-22)40-18-25(9-10-28(40)34-26)38-15-13-37(14-16-38)19-29(42)39-12-11-24(17-39)33-21(2)41/h5-10,18,20,24H,4,11-17,19H2,1-3H3,(H,33,41).
What are the key properties of N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 604.76 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 78427904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).