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'}

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Related Compounds

2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132137
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylic acid
CID 175507913
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-tert-butylpiperazine-1-carboxylic acid
CID 175507728
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165131728
2-bromo-N-[[6-cyclopropyl-8-(1-oxo-1,2-thiazolidin-2-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
CID 165131712
N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-amine
CID 170694085
4-N-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrimidine-2,4-diamine
CID 165132606
(1S)-2-(3-chlorophenyl)-N-[4-[[6-cyclopropyl-8-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropane-1-carboxamide
CID 165131577
4-N-[[8-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyridine-2,4-diamine
CID 165131333
N-[6-cyclopropyl-2-[[(2-formamido-4-pyridinyl)amino]methyl]imidazo[1,2-a]pyridin-8-yl]-N-methylacetamide
CID 165131837
2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132416
chlorobenzene;ethane;N-[4-[[8-(4-propylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 165132086

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).