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

C29H32N8O2 — CID 70814921

IUPACN-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C29H32N8O2/c1-2-22-28-23(33-29(38)25-19-31-26-10-3-4-14-36(25)26)8-6-9-24(28)37(34-22)20-21-7-5-11-27(32-21)39-18-17-35-15-12-30-13-16-35/h3-11,14,19,30H,2,12-13,15-18,20H2,1H3,(H,33,38)
InChIKeyQLLLSYAAVOVZPW-UHFFFAOYSA-N
MW524.63 g/mol
LogP3.23
Rot. Bonds9

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

N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70814921) has the molecular formula C29H32N8O2 and a molecular weight of 524.63 g/mol. Its IUPAC name is N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70814921
Molecular FormulaC29H32N8O2
Molecular Weight524.63 g/mol
Exact Mass524.26
IUPAC NameN-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C29H32N8O2/c1-2-22-28-23(33-29(38)25-19-31-26-10-3-4-14-36(25)26)8-6-9-24(28)37(34-22)20-21-7-5-11-27(32-21)39-18-17-35-15-12-30-13-16-35/h3-11,14,19,30H,2,12-13,15-18,20H2,1H3,(H,33,38)
InChIKeyQLLLSYAAVOVZPW-UHFFFAOYSA-N
XLogP3.23
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.63
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 70814921) is N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-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-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(OCCN3CCNCC3)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is QLLLSYAAVOVZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O2/c1-2-22-28-23(33-29(38)25-19-31-26-10-3-4-14-36(25)26)8-6-9-24(28)37(34-22)20-21-7-5-11-27(32-21)39-18-17-35-15-12-30-13-16-35/h3-11,14,19,30H,2,12-13,15-18,20H2,1H3,(H,33,38).
What are the key properties of N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 524.63 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[[6-(2-piperazin-1-ylethoxy)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70814921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).