N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C30H34N8O2 — CID 67253959

IUPACN-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN3CCN(C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C30H34N8O2/c1-3-23-29-24(33-30(39)26-20-31-27-11-4-5-13-37(26)27)9-7-10-25(29)38(34-23)21-22-8-6-12-28(32-22)40-19-18-36-16-14-35(2)15-17-36/h4-13,20H,3,14-19,21H2,1-2H3,(H,33,39)
InChIKeyVKJMREAAUAJFPB-UHFFFAOYSA-N
MW538.66 g/mol
LogP3.57
Rot. Bonds9

About N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67253959) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67253959
Molecular FormulaC30H34N8O2
Molecular Weight538.66 g/mol
Exact Mass538.28
IUPAC NameN-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN3CCN(C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C30H34N8O2/c1-3-23-29-24(33-30(39)26-20-31-27-11-4-5-13-37(26)27)9-7-10-25(29)38(34-23)21-22-8-6-12-28(32-22)40-19-18-36-16-14-35(2)15-17-36/h4-13,20H,3,14-19,21H2,1-2H3,(H,33,39)
InChIKeyVKJMREAAUAJFPB-UHFFFAOYSA-N
XLogP3.57
TPSA92.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67253959) is N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(OCCN3CCN(C)CC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VKJMREAAUAJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-3-23-29-24(33-30(39)26-20-31-27-11-4-5-13-37(26)27)9-7-10-25(29)38(34-23)21-22-8-6-12-28(32-22)40-19-18-36-16-14-35(2)15-17-36/h4-13,20H,3,14-19,21H2,1-2H3,(H,33,39).
What are the key properties of N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 538.66 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67253959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).