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

C25H22IN5O3 — CID 53261960

IUPACN-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3c(I)nn4Cc3ccccc3)cnc2c1
InChIInChI=1S/C25H22IN5O3/c1-33-12-13-34-18-10-11-30-21(15-27-22(30)14-18)25(32)28-19-8-5-9-20-23(19)24(26)29-31(20)16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,28,32)
InChIKeyBHFHDPVAKGLLLD-UHFFFAOYSA-N
MW567.39 g/mol
LogP4.61
Rot. Bonds8

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

N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53261960) has the molecular formula C25H22IN5O3 and a molecular weight of 567.39 g/mol. Its IUPAC name is N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53261960
Molecular FormulaC25H22IN5O3
Molecular Weight567.39 g/mol
Exact Mass567.08
IUPAC NameN-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3c(I)nn4Cc3ccccc3)cnc2c1
InChIInChI=1S/C25H22IN5O3/c1-33-12-13-34-18-10-11-30-21(15-27-22(30)14-18)25(32)28-19-8-5-9-20-23(19)24(26)29-31(20)16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,28,32)
InChIKeyBHFHDPVAKGLLLD-UHFFFAOYSA-N
XLogP4.61
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.39
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide (CID 53261960) is N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is COCCOc1ccn2c(C(=O)Nc3cccc4c3c(I)nn4Cc3ccccc3)cnc2c1.
What is the InChIKey of N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BHFHDPVAKGLLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22IN5O3/c1-33-12-13-34-18-10-11-30-21(15-27-22(30)14-18)25(32)28-19-8-5-9-20-23(19)24(26)29-31(20)16-17-6-3-2-4-7-17/h2-11,14-15H,12-13,16H2,1H3,(H,28,32).
What are the key properties of N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide?
N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 567.39 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-iodoindazol-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53261960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).