3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine

C39H31BrN10 — CID 143426719

IUPAC3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine
SMILESN#Cc1c(-c2ccccc2)cc(NCc2cccnc2)c2ncc(Br)n12.Nc1c(-c2ccccc2)cc(NCc2cccnc2)c2nccn12
InChIInChI=1S/C20H14BrN5.C19H17N5/c21-19-13-25-20-17(24-12-14-5-4-8-23-11-14)9-16(18(10-22)26(19)20)15-6-2-1-3-7-15;20-18-16(15-6-2-1-3-7-15)11-17(19-22-9-10-24(18)19)23-13-14-5-4-8-21-12-14/h1-9,11,13,24H,12H2;1-12,23H,13,20H2
InChIKeyNFOAJUCOBHPYMD-UHFFFAOYSA-N
MW719.65 g/mol
LogP8.23
Rot. Bonds8

About 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine

3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine (PubChem CID 143426719) has the molecular formula C39H31BrN10 and a molecular weight of 719.65 g/mol. Its IUPAC name is 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine.

Molecular Properties

Compound Name3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine
PubChem CID143426719
Molecular FormulaC39H31BrN10
Molecular Weight719.65 g/mol
Exact Mass718.19
IUPAC Name3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine
SMILESN#Cc1c(-c2ccccc2)cc(NCc2cccnc2)c2ncc(Br)n12.Nc1c(-c2ccccc2)cc(NCc2cccnc2)c2nccn12
InChIInChI=1S/C20H14BrN5.C19H17N5/c21-19-13-25-20-17(24-12-14-5-4-8-23-11-14)9-16(18(10-22)26(19)20)15-6-2-1-3-7-15;20-18-16(15-6-2-1-3-7-15)11-17(19-22-9-10-24(18)19)23-13-14-5-4-8-21-12-14/h1-9,11,13,24H,12H2;1-12,23H,13,20H2
InChIKeyNFOAJUCOBHPYMD-UHFFFAOYSA-N
XLogP8.23
TPSA134.25 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.65
LogP ≤ 58.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
CID 44132585
3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carbonitrile
CID 44545901
US11420970, Example 198
CID 156073186
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
4-[2-(4-Fluorophenyl)-7-piperidin-4-ylimidazo-[1,2-a]pyridin-3-yl]piperidin-2-ylamine
CID 24887418
12-[4-(Piperidin-1-ylmethyl)phenyl]-4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44546493
8-(4-methylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299617
8-(4,4-dimethylcyclohexyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299870
2-amino-4-methyl-6-[[(1S)-1-(1-methyl-6-piperazin-1-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 91820679

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine?
The IUPAC name of 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine (CID 143426719) is 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine.
What is the SMILES notation for 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine?
The canonical SMILES for 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine is N#Cc1c(-c2ccccc2)cc(NCc2cccnc2)c2ncc(Br)n12.Nc1c(-c2ccccc2)cc(NCc2cccnc2)c2nccn12.
What is the InChIKey of 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine?
The InChIKey is NFOAJUCOBHPYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5.C19H17N5/c21-19-13-25-20-17(24-12-14-5-4-8-23-11-14)9-16(18(10-22)26(19)20)15-6-2-1-3-7-15;20-18-16(15-6-2-1-3-7-15)11-17(19-22-9-10-24(18)19)23-13-14-5-4-8-21-12-14/h1-9,11,13,24H,12H2;1-12,23H,13,20H2.
What are the key properties of 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine?
3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine has a molecular weight of 719.65 g/mol, XLogP of 8.23, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-phenyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridine-5-carbonitrile;6-phenyl-8-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-5,8-diamine is sourced from PubChem (CID 143426719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).