2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine

C22H27BrN6 — CID 165132464

IUPAC2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
SMILESCCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)CC1
InChIInChI=1S/C22H27BrN6/c1-2-27-7-9-28(10-8-27)20-11-17(16-3-4-16)14-29-15-19(26-22(20)29)13-25-18-5-6-24-21(23)12-18/h5-6,11-12,14-16H,2-4,7-10,13H2,1H3,(H,24,25)
InChIKeyKBEHYBDWBGMSQT-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.12
Rot. Bonds6

About 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine

2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine (PubChem CID 165132464) has the molecular formula C22H27BrN6 and a molecular weight of 455.40 g/mol. Its IUPAC name is 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
PubChem CID165132464
Molecular FormulaC22H27BrN6
Molecular Weight455.40 g/mol
Exact Mass454.15
IUPAC Name2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
SMILESCCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)CC1
InChIInChI=1S/C22H27BrN6/c1-2-27-7-9-28(10-8-27)20-11-17(16-3-4-16)14-29-15-19(26-22(20)29)13-25-18-5-6-24-21(23)12-18/h5-6,11-12,14-16H,2-4,7-10,13H2,1H3,(H,24,25)
InChIKeyKBEHYBDWBGMSQT-UHFFFAOYSA-N
XLogP4.12
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The IUPAC name of 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine (CID 165132464) is 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine.
What is the SMILES notation for 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The canonical SMILES for 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine is CCN1CCN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)CC1.
What is the InChIKey of 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
The InChIKey is KBEHYBDWBGMSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN6/c1-2-27-7-9-28(10-8-27)20-11-17(16-3-4-16)14-29-15-19(26-22(20)29)13-25-18-5-6-24-21(23)12-18/h5-6,11-12,14-16H,2-4,7-10,13H2,1H3,(H,24,25).
What are the key properties of 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine?
2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine has a molecular weight of 455.40 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 165132464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).