N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid

C75H90N12O5S — CID 158100230

IUPACN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3)nc12
InChIInChI=1S/C30H34N6OS.C23H29N3O2.C22H27N3O2/c1-29(2,3)18-30(4,5)35-26-24(20-10-7-6-8-11-20)34-25-21(12-9-15-36(25)26)27(37)32-17-19-13-14-22-23(16-19)38-28(31)33-22;1-22(2,3)15-23(4,5)25-20-18(16-11-8-7-9-12-16)24-19-17(21(27)28-6)13-10-14-26(19)20;1-21(2,3)14-22(4,5)24-19-17(15-10-7-6-8-11-15)23-18-16(20(26)27)12-9-13-25(18)19/h6-16,35H,17-18H2,1-5H3,(H2,31,33)(H,32,37);7-14,25H,15H2,1-6H3;6-13,24H,14H2,1-5H3,(H,26,27)
InChIKeyFPDZFPHNFDGNTG-UHFFFAOYSA-N
MW1271.69 g/mol
LogP17.49
Rot. Bonds17

About N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid

N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 158100230) has the molecular formula C75H90N12O5S and a molecular weight of 1271.69 g/mol. Its IUPAC name is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID158100230
Molecular FormulaC75H90N12O5S
Molecular Weight1271.69 g/mol
Exact Mass1270.69
IUPAC NameN-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3)nc12
InChIInChI=1S/C30H34N6OS.C23H29N3O2.C22H27N3O2/c1-29(2,3)18-30(4,5)35-26-24(20-10-7-6-8-11-20)34-25-21(12-9-15-36(25)26)27(37)32-17-19-13-14-22-23(16-19)38-28(31)33-22;1-22(2,3)15-23(4,5)25-20-18(16-11-8-7-9-12-16)24-19-17(21(27)28-6)13-10-14-26(19)20;1-21(2,3)14-22(4,5)24-19-17(15-10-7-6-8-11-15)23-18-16(20(26)27)12-9-13-25(18)19/h6-16,35H,17-18H2,1-5H3,(H2,31,33)(H,32,37);7-14,25H,15H2,1-6H3;6-13,24H,14H2,1-5H3,(H,26,27)
InChIKeyFPDZFPHNFDGNTG-UHFFFAOYSA-N
XLogP17.49
TPSA219.60 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001271.69
LogP ≤ 517.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid with MolForge

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Related Compounds

methyl 2-[[7-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylate
CID 171677088
8-[(2-Amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 25094957
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-(2-hydroxy-2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588520
methyl 3-((2-(((1R,2R)-2-hydroxycyclohexyl)amino)benzo[d]thiazol-6-yl)methyl)-3H-imidazo[4,5-b]pyridine-6-carboxylate
CID 71550846
Methyl 3-[[2-[(2-hydroxycyclohexyl)amino]-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylate
CID 78108589
3-[2-[4-[(2-aminophenyl)carbamoyl]anilino]-1,3-thiazol-4-yl]-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-7-carboxamide;methyl 2-methyl-3-[2-[4-(methylcarbamoyl)anilino]-1,3-thiazol-4-yl]imidazo[1,2-a]pyridine-7-carboxylate
CID 123457795
3-[[2-(Cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 126761236
Methyl 3-[[2-(cyclohexylamino)-1,3-benzothiazol-6-yl]methyl]imidazo[4,5-b]pyridine-6-carboxylate
CID 145561566
3-[8-(2-Aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoic acid;methyl 3-[8-(2-aminoethylamino)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzoate
CID 158308821
tert-butyl N-[6-[[[3-[[2-(hydroxymethyl)-4-methylpentanoyl]amino]-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]-1,3-benzothiazol-2-yl]carbamate;tert-butyl N-[6-[[[3-[(4-methyl-2-methylidenepentanoyl)amino]-2-phenylimidazo[1,2-a]pyridine-8-carbonyl]amino]methyl]-1,3-benzothiazol-2-yl]carbamate;3-[[2-(hydroxymethyl)-4-methylpentanoyl]amino]-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid;3-[(4-methyl-2-methylidenepentanoyl)amino]-2-phenylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 158368868
2-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid;2-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-8-carboxamide;1,3-thiazol-2-amine
CID 158681131
8-N-[(2-acetamido-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxybutan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide;ethyl 8-[(2-acetamido-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 8-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-6-yl]methylcarbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 159105824

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 158100230) is N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid is CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)NCc3ccc4nc(N)sc4c3)cccn12.CC(C)(C)CC(C)(C)Nc1c(-c2ccccc2)nc2c(C(=O)O)cccn12.COC(=O)c1cccn2c(NC(C)(C)CC(C)(C)C)c(-c3ccccc3)nc12.
What is the InChIKey of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is FPDZFPHNFDGNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6OS.C23H29N3O2.C22H27N3O2/c1-29(2,3)18-30(4,5)35-26-24(20-10-7-6-8-11-20)34-25-21(12-9-15-36(25)26)27(37)32-17-19-13-14-22-23(16-19)38-28(31)33-22;1-22(2,3)15-23(4,5)25-20-18(16-11-8-7-9-12-16)24-19-17(21(27)28-6)13-10-14-26(19)20;1-21(2,3)14-22(4,5)24-19-17(15-10-7-6-8-11-15)23-18-16(20(26)27)12-9-13-25(18)19/h6-16,35H,17-18H2,1-5H3,(H2,31,33)(H,32,37);7-14,25H,15H2,1-6H3;6-13,24H,14H2,1-5H3,(H,26,27).
What are the key properties of N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid?
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 1271.69 g/mol, XLogP of 17.49, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxamide;methyl 2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylate;2-phenyl-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 158100230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).