1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

C20H19BrN6O2 — CID 165131728

IUPAC1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)C1=O
InChIInChI=1S/C20H19BrN6O2/c1-25-18(28)11-27(20(25)29)16-6-13(12-2-3-12)9-26-10-15(24-19(16)26)8-23-14-4-5-22-17(21)7-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyFQMOTIHJVNVNFH-UHFFFAOYSA-N
MW455.32 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione

1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 165131728) has the molecular formula C20H19BrN6O2 and a molecular weight of 455.32 g/mol. Its IUPAC name is 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
PubChem CID165131728
Molecular FormulaC20H19BrN6O2
Molecular Weight455.32 g/mol
Exact Mass454.08
IUPAC Name1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)C1=O
InChIInChI=1S/C20H19BrN6O2/c1-25-18(28)11-27(20(25)29)16-6-13(12-2-3-12)9-26-10-15(24-19(16)26)8-23-14-4-5-22-17(21)7-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,23)
InChIKeyFQMOTIHJVNVNFH-UHFFFAOYSA-N
XLogP3.38
TPSA82.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[[6-cyclopropyl-8-(4-ethylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyridin-4-amine
CID 165132464
2-bromo-N-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
CID 165132137
1-[2-(bromomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132705
4-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]piperazine-1-carboxylic acid
CID 175507913
1-(6-cyclopropyl-2-ethylimidazo[1,2-a]pyridin-8-yl)-3-methylimidazolidine-2,4-dione
CID 165133017
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
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-[(4-chloro-[1,3]oxazolo[5,4-c]pyridin-2-yl)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165133229
1-[6-cyclopropyl-2-[[[4-(dimethylamino)-2-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]quinolin-7-yl]amino]methyl]imidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 170694148
cis-(1R,2R)-N-[6-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]pyrimidin-4-yl]-2-fluorocyclopropane-1-carboxamide
CID 175616964
1-[2-[(3-aminophenoxy)methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione
CID 165132489
trans-(1S,2S)-N-[4-[[6-cyclopropyl-8-(3-methyl-2,4-dioxoimidazolidin-1-yl)imidazo[1,2-a]pyridin-2-yl]methylamino]-6-methylpyrimidin-2-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 171473375

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione (CID 165131728) is 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(c2cc(C3CC3)cn3cc(CNc4ccnc(Br)c4)nc23)C1=O.
What is the InChIKey of 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is FQMOTIHJVNVNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN6O2/c1-25-18(28)11-27(20(25)29)16-6-13(12-2-3-12)9-26-10-15(24-19(16)26)8-23-14-4-5-22-17(21)7-14/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,23).
What are the key properties of 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione?
1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 455.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2-bromo-4-pyridinyl)amino]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 165131728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).