tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane

C28H36FN7O3 — CID 172601532

IUPACtert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane
SMILESCC.Cc1cn2cc(-c3nc(=O)n4cc(N5CC(C)N(C(=O)OC(C)(C)C)C(C)C5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C26H30FN7O3.C2H6/c1-15-10-32-13-18(9-20(27)23(32)28-15)22-29-21-8-7-19(14-33(21)24(35)30-22)31-11-16(2)34(17(3)12-31)25(36)37-26(4,5)6;1-2/h7-10,13-14,16-17H,11-12H2,1-6H3;1-2H3
InChIKeyFFKPSXQKLUBJFZ-UHFFFAOYSA-N
MW537.64 g/mol
LogP4.71
Rot. Bonds2

About tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane

tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane (PubChem CID 172601532) has the molecular formula C28H36FN7O3 and a molecular weight of 537.64 g/mol. Its IUPAC name is tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane
PubChem CID172601532
Molecular FormulaC28H36FN7O3
Molecular Weight537.64 g/mol
Exact Mass537.29
IUPAC Nametert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane
SMILESCC.Cc1cn2cc(-c3nc(=O)n4cc(N5CC(C)N(C(=O)OC(C)(C)C)C(C)C5)ccc4n3)cc(F)c2n1
InChIInChI=1S/C26H30FN7O3.C2H6/c1-15-10-32-13-18(9-20(27)23(32)28-15)22-29-21-8-7-19(14-33(21)24(35)30-22)31-11-16(2)34(17(3)12-31)25(36)37-26(4,5)6;1-2/h7-10,13-14,16-17H,11-12H2,1-6H3;1-2H3
InChIKeyFFKPSXQKLUBJFZ-UHFFFAOYSA-N
XLogP4.71
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.64
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]piperazine-1-carboxylate;ethane
CID 172601447
ethane;1-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-1,4-azaborinane-4-carbonitrile
CID 172601445
tert-butyl 4-[2-(2,7-dimethylpyrazolo[1,5-a]pyridin-5-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2-methylpiperazine-1-carboxylate;ethane
CID 172601470
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-pyrrolidin-3-ylpyrido[1,2-a][1,3,5]triazin-4-one
CID 168888228
tert-butyl (2S,6R)-4-[4-chloro-3-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)amino]-1-methylindazol-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 176566502
tert-butyl (2S,6R)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500627
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-4-methyl-3,4-dihydrocinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500460
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500543
tert-butyl 3-[6-[[amino-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)methylidene]amino]-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 172601531
tert-butyl (2S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-3-methoxy-2-methylquinoxalin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175586868
tert-butyl 4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methoxyquinolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 175586818
tert-butyl 4-(4-tert-butylphenyl)-2,6-dimethylpiperazine-1-carboxylate
CID 129258263

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane (CID 172601532) is tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane is CC.Cc1cn2cc(-c3nc(=O)n4cc(N5CC(C)N(C(=O)OC(C)(C)C)C(C)C5)ccc4n3)cc(F)c2n1.
What is the InChIKey of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane?
The InChIKey is FFKPSXQKLUBJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O3.C2H6/c1-15-10-32-13-18(9-20(27)23(32)28-15)22-29-21-8-7-19(14-33(21)24(35)30-22)31-11-16(2)34(17(3)12-31)25(36)37-26(4,5)6;1-2/h7-10,13-14,16-17H,11-12H2,1-6H3;1-2H3.
What are the key properties of tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane?
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane has a molecular weight of 537.64 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxopyrido[1,2-a][1,3,5]triazin-7-yl]-2,6-dimethylpiperazine-1-carboxylate;ethane is sourced from PubChem (CID 172601532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).