N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C23H23N7O — CID 67260401

IUPACN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C23H23N7O/c1-4-17-22-18(25-23(31)20-13-24-21-10-5-6-11-29(20)21)8-7-9-19(22)30(27-17)14-16-12-15(2)28(3)26-16/h5-13H,4,14H2,1-3H3,(H,25,31)
InChIKeyIQUITEGKUMROTP-UHFFFAOYSA-N
MW413.49 g/mol
LogP3.59
Rot. Bonds5

About N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67260401) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67260401
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC NameN-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C23H23N7O/c1-4-17-22-18(25-23(31)20-13-24-21-10-5-6-11-29(20)21)8-7-9-19(22)30(27-17)14-16-12-15(2)28(3)26-16/h5-13H,4,14H2,1-3H3,(H,25,31)
InChIKeyIQUITEGKUMROTP-UHFFFAOYSA-N
XLogP3.59
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67260401) is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IQUITEGKUMROTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-4-17-22-18(25-23(31)20-13-24-21-10-5-6-11-29(20)21)8-7-9-19(22)30(27-17)14-16-12-15(2)28(3)26-16/h5-13H,4,14H2,1-3H3,(H,25,31).
What are the key properties of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 413.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67260401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).