N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

C27H26ClN5O3 — CID 53262027

IUPACN-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccccc2)c2ccc(Cl)c(NC(=O)c3cnc4cc(OCCOC)ccn34)c12
InChIInChI=1S/C27H26ClN5O3/c1-3-21-25-22(33(31-21)17-18-7-5-4-6-8-18)10-9-20(28)26(25)30-27(34)23-16-29-24-15-19(11-12-32(23)24)36-14-13-35-2/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,30,34)
InChIKeyTZOZWWBEANSCHO-UHFFFAOYSA-N
MW503.99 g/mol
LogP5.23
Rot. Bonds9

About N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide

N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53262027) has the molecular formula C27H26ClN5O3 and a molecular weight of 503.99 g/mol. Its IUPAC name is N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53262027
Molecular FormulaC27H26ClN5O3
Molecular Weight503.99 g/mol
Exact Mass503.17
IUPAC NameN-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nn(Cc2ccccc2)c2ccc(Cl)c(NC(=O)c3cnc4cc(OCCOC)ccn34)c12
InChIInChI=1S/C27H26ClN5O3/c1-3-21-25-22(33(31-21)17-18-7-5-4-6-8-18)10-9-20(28)26(25)30-27(34)23-16-29-24-15-19(11-12-32(23)24)36-14-13-35-2/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,30,34)
InChIKeyTZOZWWBEANSCHO-UHFFFAOYSA-N
XLogP5.23
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.99
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 53262027) is N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2ccccc2)c2ccc(Cl)c(NC(=O)c3cnc4cc(OCCOC)ccn34)c12.
What is the InChIKey of N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is TZOZWWBEANSCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN5O3/c1-3-21-25-22(33(31-21)17-18-7-5-4-6-8-18)10-9-20(28)26(25)30-27(34)23-16-29-24-15-19(11-12-32(23)24)36-14-13-35-2/h4-12,15-16H,3,13-14,17H2,1-2H3,(H,30,34).
What are the key properties of N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 503.99 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5-chloro-3-ethylindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53262027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).