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

C26H26N6O4 — CID 67260255

IUPACN-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCC(O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C26H26N6O4/c1-2-19-25-20(29-26(35)22-13-27-23-10-3-4-12-31(22)23)8-6-9-21(25)32(30-19)14-17-7-5-11-24(28-17)36-16-18(34)15-33/h3-13,18,33-34H,2,14-16H2,1H3,(H,29,35)
InChIKeyCWLAWXOXPOZUCS-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.67
Rot. Bonds9

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

N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260255) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260255
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC NameN-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cccc(OCC(O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C26H26N6O4/c1-2-19-25-20(29-26(35)22-13-27-23-10-3-4-12-31(22)23)8-6-9-21(25)32(30-19)14-17-7-5-11-24(28-17)36-16-18(34)15-33/h3-13,18,33-34H,2,14-16H2,1H3,(H,29,35)
InChIKeyCWLAWXOXPOZUCS-UHFFFAOYSA-N
XLogP2.67
TPSA126.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67260255) is N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(OCC(O)CO)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CWLAWXOXPOZUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-2-19-25-20(29-26(35)22-13-27-23-10-3-4-12-31(22)23)8-6-9-21(25)32(30-19)14-17-7-5-11-24(28-17)36-16-18(34)15-33/h3-13,18,33-34H,2,14-16H2,1H3,(H,29,35).
What are the key properties of N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 486.53 g/mol, XLogP of 2.67, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(2,3-dihydroxypropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).