N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C24H30N6O3 — CID 144771697

IUPACN-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNC=O)cc1NC(=O)c1cnc2cc(OCCN3CCN(C)CC3)ccn12
InChIInChI=1S/C24H30N6O3/c1-18-3-4-19(15-25-17-31)13-21(18)27-24(32)22-16-26-23-14-20(5-6-30(22)23)33-12-11-29-9-7-28(2)8-10-29/h3-6,13-14,16-17H,7-12,15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyMISTWGZBYRMMPG-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.77
Rot. Bonds9

About N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 144771697) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID144771697
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC NameN-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc(CNC=O)cc1NC(=O)c1cnc2cc(OCCN3CCN(C)CC3)ccn12
InChIInChI=1S/C24H30N6O3/c1-18-3-4-19(15-25-17-31)13-21(18)27-24(32)22-16-26-23-14-20(5-6-30(22)23)33-12-11-29-9-7-28(2)8-10-29/h3-6,13-14,16-17H,7-12,15H2,1-2H3,(H,25,31)(H,27,32)
InChIKeyMISTWGZBYRMMPG-UHFFFAOYSA-N
XLogP1.77
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 67252742
N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 123811292
ethane;N-[2-methyl-5-[(prop-1-en-2-ylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771657
ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 57385611
[(E)-1-[4-methyl-3-[(7-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)amino]phenyl]ethylideneamino] hypofluorite
CID 171796662
N-[2-methyl-5-[(pyridine-3-carbonylamino)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 86763809
tert-butyl 4-[2-[3-[[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]carbamoyl]imidazo[1,2-a]pyridin-7-yl]oxyethyl]piperazine-1-carboxylate
CID 57386649
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782066
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771651
ethane;N-[5-[(1S)-1-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylphenyl]-7-(2-hydroxyethoxy)imidazo[1,2-a]pyridine-3-carboxamide
CID 144771693

Frequently Asked Questions

What is the IUPAC name of N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 144771697) is N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(CNC=O)cc1NC(=O)c1cnc2cc(OCCN3CCN(C)CC3)ccn12.
What is the InChIKey of N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is MISTWGZBYRMMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-18-3-4-19(15-25-17-31)13-21(18)27-24(32)22-16-26-23-14-20(5-6-30(22)23)33-12-11-29-9-7-28(2)8-10-29/h3-6,13-14,16-17H,7-12,15H2,1-2H3,(H,25,31)(H,27,32).
What are the key properties of N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 144771697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).