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

C25H27Cl2N7O2 — CID 67259273

IUPACN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl
InChIInChI=1S/C25H25N7O2.2ClH/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);2*1H
InChIKeyVJJBCFZWCWAAHE-UHFFFAOYSA-N
MW528.44 g/mol
LogP4.12
Rot. Bonds8

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

N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 67259273) has the molecular formula C25H27Cl2N7O2 and a molecular weight of 528.44 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;dihydrochloride.

Molecular Properties

Compound NameN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
PubChem CID67259273
Molecular FormulaC25H27Cl2N7O2
Molecular Weight528.44 g/mol
Exact Mass527.16
IUPAC NameN-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILESCCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl
InChIInChI=1S/C25H25N7O2.2ClH/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);2*1H
InChIKeyVJJBCFZWCWAAHE-UHFFFAOYSA-N
XLogP4.12
TPSA112.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.44
LogP ≤ 54.12
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;dihydrochloride?
The IUPAC name of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 67259273) is N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is CCc1nn(Cc2cccc(OCCN)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.Cl.Cl.
What is the InChIKey of N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is VJJBCFZWCWAAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2.2ClH/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);2*1H.
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;dihydrochloride?
N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 528.44 g/mol, XLogP of 4.12, 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;dihydrochloride is sourced from PubChem (CID 67259273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).