6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate

C49H44N14O6 — CID 158659325

IUPAC6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.O=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C25H23N7O3.C24H21N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31;32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30);1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33)
InChIKeyICOAPIFHCPZLNT-UHFFFAOYSA-N
MW924.98 g/mol
LogP7.19
Rot. Bonds10

About 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate

6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 158659325) has the molecular formula C49H44N14O6 and a molecular weight of 924.98 g/mol. Its IUPAC name is 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Name6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID158659325
Molecular FormulaC49H44N14O6
Molecular Weight924.98 g/mol
Exact Mass924.36
IUPAC Name6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.O=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12
InChIInChI=1S/C25H23N7O3.C24H21N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31;32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30);1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33)
InChIKeyICOAPIFHCPZLNT-UHFFFAOYSA-N
XLogP7.19
TPSA230.34 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500924.98
LogP ≤ 57.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-3-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2-phenylmethoxyethyl)imidazo[4,5-c]pyridine-6-carboxamide
CID 154991763
N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
ethyl 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1H-pyrazole-5-carboxylate;3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1H-pyrazole-5-carboxylic acid
CID 159951835
ethyl 3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-1H-pyrazole-5-carboxylate;3-[4-(3-hydroxypropylamino)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-1-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 160938933
2-[[2-[4-(7-fluoro-1H-indazol-6-yl)-2-methyl-3aH-1,3-benzodioxol-4-yl]-2-methylpiperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 172226819
2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid;methyl 2-ethyl-4-[[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoate
CID 175887986
6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 53391321
methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
CID 53391322
5-[[6-(1-Methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylic acid
CID 121275932
Methyl 5-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276000
Methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 123169769
6-(1H-indazol-6-yl)-8-[[(1Z,3E)-1-(methylideneamino)-4-morpholin-4-ylpenta-1,3-dienyl]amino]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 126547408

Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate (CID 158659325) is 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.O=C(O)c1c(-c2ccc3cn[nH]c3c2)cc(Nc2ccc(N3CCOCC3)cn2)c2nccn12.
What is the InChIKey of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is ICOAPIFHCPZLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3.C24H21N7O3/c1-34-25(33)23-19(16-2-3-17-14-28-30-20(17)12-16)13-21(24-26-6-7-32(23)24)29-22-5-4-18(15-27-22)31-8-10-35-11-9-31;32-24(33)22-18(15-1-2-16-13-27-29-19(16)11-15)12-20(23-25-5-6-31(22)23)28-21-4-3-17(14-26-21)30-7-9-34-10-8-30/h2-7,12-15H,8-11H2,1H3,(H,27,29)(H,28,30);1-6,11-14H,7-10H2,(H,26,28)(H,27,29)(H,32,33).
What are the key properties of 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate?
6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 924.98 g/mol, XLogP of 7.19, 10 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylic acid;methyl 6-(1H-indazol-6-yl)-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 158659325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).