2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C122H134F3N29O9 — CID 158469132

IUPAC2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)cn4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-24-7-8-39-27(19-35-29(39)16-24)28(41)15-21-3-2-4-26-25(21)18-36-40(26)20-23-6-5-22(17-34-23)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38)
InChIKeyHGDAJOXRHXKRNK-UHFFFAOYSA-N
MW2207.60 g/mol
LogP15.39
Rot. Bonds38

About 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 158469132) has the molecular formula C122H134F3N29O9 and a molecular weight of 2207.60 g/mol. Its IUPAC name is 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158469132
Molecular FormulaC122H134F3N29O9
Molecular Weight2207.60 g/mol
Exact Mass2206.09
IUPAC Name2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)cn4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1
InChIInChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-24-7-8-39-27(19-35-29(39)16-24)28(41)15-21-3-2-4-26-25(21)18-36-40(26)20-23-6-5-22(17-34-23)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38)
InChIKeyHGDAJOXRHXKRNK-UHFFFAOYSA-N
XLogP15.39
TPSA344.42 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.60
LogP ≤ 515.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Analyze 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 158469132) is 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC(C)c1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CCOc1cccc(Cn2ncc3c(CC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.CN1CCN(CCOc2ccn3c(C(=O)Cc4cccc5c4cnn5Cc4ccc(C(F)(F)F)cn4)cnc3c2)CC1.Cc1cccc(Cn2ncc3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)n1.
What is the InChIKey of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HGDAJOXRHXKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O2.C31H35N7O3.C30H30F3N7O2.C29H32N8O2/c1-23(2)28-8-5-7-25(35-28)22-39-29-9-4-6-24(27(29)20-34-39)18-31(40)30-21-33-32-19-26(10-11-38(30)32)41-17-16-37-14-12-36(3)13-15-37;1-3-40-31-9-5-7-24(34-31)22-38-27-8-4-6-23(26(27)20-33-38)18-29(39)28-21-32-30-19-25(10-11-37(28)30)41-17-16-36-14-12-35(2)13-15-36;1-37-9-11-38(12-10-37)13-14-42-24-7-8-39-27(19-35-29(39)16-24)28(41)15-21-3-2-4-26-25(21)18-36-40(26)20-23-6-5-22(17-34-23)30(31,32)33;1-21-5-3-6-22(32-21)20-37-26-8-4-7-25(24(26)18-31-37)33-29(38)27-19-30-28-17-23(9-10-36(27)28)39-16-15-35-13-11-34(2)12-14-35/h4-11,19-21,23H,12-18,22H2,1-3H3;4-11,19-21H,3,12-18,22H2,1-2H3;2-8,16-19H,9-15,20H2,1H3;3-10,17-19H,11-16,20H2,1-2H3,(H,33,38).
What are the key properties of 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 2207.60 g/mol, XLogP of 15.39, 38 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158469132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).