2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide

C31H28FN9O2S — CID 162434396

IUPAC2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
SMILESCCc1nc2ccc(-c3cnc(CC(=O)NCC4CCC(=O)N4)cn3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H28FN9O2S/c1-3-23-30(40(2)31-39-29(25(13-33)44-31)18-4-7-20(32)8-5-18)41-17-19(6-10-26(41)38-23)24-16-34-22(15-35-24)12-28(43)36-14-21-9-11-27(42)37-21/h4-8,10,15-17,21H,3,9,11-12,14H2,1-2H3,(H,36,43)(H,37,42)
InChIKeyQMPJVBFSGYGUIC-UHFFFAOYSA-N
MW609.69 g/mol
LogP4.19
Rot. Bonds9

About 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide

2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide (PubChem CID 162434396) has the molecular formula C31H28FN9O2S and a molecular weight of 609.69 g/mol. Its IUPAC name is 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
PubChem CID162434396
Molecular FormulaC31H28FN9O2S
Molecular Weight609.69 g/mol
Exact Mass609.21
IUPAC Name2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide
SMILESCCc1nc2ccc(-c3cnc(CC(=O)NCC4CCC(=O)N4)cn3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
InChIInChI=1S/C31H28FN9O2S/c1-3-23-30(40(2)31-39-29(25(13-33)44-31)18-4-7-20(32)8-5-18)41-17-19(6-10-26(41)38-23)24-16-34-22(15-35-24)12-28(43)36-14-21-9-11-27(42)37-21/h4-8,10,15-17,21H,3,9,11-12,14H2,1-2H3,(H,36,43)(H,37,42)
InChIKeyQMPJVBFSGYGUIC-UHFFFAOYSA-N
XLogP4.19
TPSA141.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.69
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide (CID 162434396) is 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide is CCc1nc2ccc(-c3cnc(CC(=O)NCC4CCC(=O)N4)cn3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.
What is the InChIKey of 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide?
The InChIKey is QMPJVBFSGYGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN9O2S/c1-3-23-30(40(2)31-39-29(25(13-33)44-31)18-4-7-20(32)8-5-18)41-17-19(6-10-26(41)38-23)24-16-34-22(15-35-24)12-28(43)36-14-21-9-11-27(42)37-21/h4-8,10,15-17,21H,3,9,11-12,14H2,1-2H3,(H,36,43)(H,37,42).
What are the key properties of 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide?
2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide has a molecular weight of 609.69 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]-N-[(5-oxopyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 162434396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).