7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C24H28N6O3 — CID 67976330

IUPAC7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4CC3CCNCC3)cnc2c1
InChIInChI=1S/C24H28N6O3/c1-32-11-12-33-18-7-10-29-22(15-26-23(29)13-18)24(31)28-20-3-2-4-21-19(20)14-27-30(21)16-17-5-8-25-9-6-17/h2-4,7,10,13-15,17,25H,5-6,8-9,11-12,16H2,1H3,(H,28,31)
InChIKeyBPMBQTKGXIXEIS-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.96
Rot. Bonds8

About 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67976330) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID67976330
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4CC3CCNCC3)cnc2c1
InChIInChI=1S/C24H28N6O3/c1-32-11-12-33-18-7-10-29-22(15-26-23(29)13-18)24(31)28-20-3-2-4-21-19(20)14-27-30(21)16-17-5-8-25-9-6-17/h2-4,7,10,13-15,17,25H,5-6,8-9,11-12,16H2,1H3,(H,28,31)
InChIKeyBPMBQTKGXIXEIS-UHFFFAOYSA-N
XLogP2.96
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 67976330) is 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is COCCOc1ccn2c(C(=O)Nc3cccc4c3cnn4CC3CCNCC3)cnc2c1.
What is the InChIKey of 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BPMBQTKGXIXEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-32-11-12-33-18-7-10-29-22(15-26-23(29)13-18)24(31)28-20-3-2-4-21-19(20)14-27-30(21)16-17-5-8-25-9-6-17/h2-4,7,10,13-15,17,25H,5-6,8-9,11-12,16H2,1H3,(H,28,31).
What are the key properties of 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-N-[1-(piperidin-4-ylmethyl)indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67976330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).