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

C28H28N8O2 — CID 67261332

IUPACN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNC(=O)C5)ccn34)c12
InChIInChI=1S/C28H28N8O2/c1-3-21-27-22(8-5-9-23(27)36(33-21)16-19-7-4-6-18(2)31-19)32-28(38)24-15-30-25-14-20(10-12-35(24)25)34-13-11-29-26(37)17-34/h4-10,12,14-15H,3,11,13,16-17H2,1-2H3,(H,29,37)(H,32,38)
InChIKeyFUHLOTZJQWQYRJ-UHFFFAOYSA-N
MW508.59 g/mol
LogP3.19
Rot. Bonds6

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261332) has the molecular formula C28H28N8O2 and a molecular weight of 508.59 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67261332
Molecular FormulaC28H28N8O2
Molecular Weight508.59 g/mol
Exact Mass508.23
IUPAC NameN-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNC(=O)C5)ccn34)c12
InChIInChI=1S/C28H28N8O2/c1-3-21-27-22(8-5-9-23(27)36(33-21)16-19-7-4-6-18(2)31-19)32-28(38)24-15-30-25-14-20(10-12-35(24)25)34-13-11-29-26(37)17-34/h4-10,12,14-15H,3,11,13,16-17H2,1-2H3,(H,29,37)(H,32,38)
InChIKeyFUHLOTZJQWQYRJ-UHFFFAOYSA-N
XLogP3.19
TPSA109.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.59
LogP ≤ 53.19
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-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 67261332) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[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-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(N5CCNC(=O)C5)ccn34)c12.
What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FUHLOTZJQWQYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N8O2/c1-3-21-27-22(8-5-9-23(27)36(33-21)16-19-7-4-6-18(2)31-19)32-28(38)24-15-30-25-14-20(10-12-35(24)25)34-13-11-29-26(37)17-34/h4-10,12,14-15H,3,11,13,16-17H2,1-2H3,(H,29,37)(H,32,38).
What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 508.59 g/mol, XLogP of 3.19, 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-(3-oxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).