N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

C28H30N8O — CID 67260136

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNCC5)ccn34)c12
InChIInChI=1S/C28H30N8O/c1-3-22-27-23(8-5-9-24(27)36(33-22)18-20-7-4-6-19(2)31-20)32-28(37)25-17-30-26-16-21(10-13-35(25)26)34-14-11-29-12-15-34/h4-10,13,16-17,29H,3,11-12,14-15,18H2,1-2H3,(H,32,37)
InChIKeySPLHYZQGBUXFFW-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.66
Rot. Bonds6

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260136) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260136
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNCC5)ccn34)c12
InChIInChI=1S/C28H30N8O/c1-3-22-27-23(8-5-9-24(27)36(33-22)18-20-7-4-6-19(2)31-20)32-28(37)25-17-30-26-16-21(10-13-35(25)26)34-14-11-29-12-15-34/h4-10,13,16-17,29H,3,11-12,14-15,18H2,1-2H3,(H,32,37)
InChIKeySPLHYZQGBUXFFW-UHFFFAOYSA-N
XLogP3.66
TPSA92.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 67260136) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNCC5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SPLHYZQGBUXFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-3-22-27-23(8-5-9-24(27)36(33-22)18-20-7-4-6-19(2)31-20)32-28(37)25-17-30-26-16-21(10-13-35(25)26)34-14-11-29-12-15-34/h4-10,13,16-17,29H,3,11-12,14-15,18H2,1-2H3,(H,32,37).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).