N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C25H25N7O2 — CID 67259274

IUPACN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H25N7O2/c1-2-18-24-19(29-25(33)21-15-27-22-10-3-4-13-31(21)22)8-6-9-20(24)32(30-18)16-17-7-5-11-23(28-17)34-14-12-26/h3-11,13,15H,2,12,14,16,26H2,1H3,(H,29,33)
InChIKeyGXXWGDNJTAQYRE-UHFFFAOYSA-N
MW455.52 g/mol
LogP3.28
Rot. Bonds8

About N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67259274) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67259274
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC NameN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H25N7O2/c1-2-18-24-19(29-25(33)21-15-27-22-10-3-4-13-31(21)22)8-6-9-20(24)32(30-18)16-17-7-5-11-23(28-17)34-14-12-26/h3-11,13,15H,2,12,14,16,26H2,1H3,(H,29,33)
InChIKeyGXXWGDNJTAQYRE-UHFFFAOYSA-N
XLogP3.28
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67259274) is N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GXXWGDNJTAQYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-2-18-24-19(29-25(33)21-15-27-22-10-3-4-13-31(21)22)8-6-9-20(24)32(30-18)16-17-7-5-11-23(28-17)34-14-12-26/h3-11,13,15H,2,12,14,16,26H2,1H3,(H,29,33).
What are the key properties of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67259274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).