3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C23H18BrN7 — CID 176699284

IUPAC3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2c(Br)cc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C23H18BrN7/c24-18-13-19(30-11-3-10-27-30)28-23-20(18)29-22(17-6-2-9-26-21(17)25)31(23)16-8-7-14-4-1-5-15(14)12-16/h2-3,6-13H,1,4-5H2,(H2,25,26)
InChIKeyFSICASDSTTWVHU-UHFFFAOYSA-N
MW472.35 g/mol
LogP4.50
Rot. Bonds3

About 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 176699284) has the molecular formula C23H18BrN7 and a molecular weight of 472.35 g/mol. Its IUPAC name is 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
PubChem CID176699284
Molecular FormulaC23H18BrN7
Molecular Weight472.35 g/mol
Exact Mass471.08
IUPAC Name3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc2c(Br)cc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2
InChIInChI=1S/C23H18BrN7/c24-18-13-19(30-11-3-10-27-30)28-23-20(18)29-22(17-6-2-9-26-21(17)25)31(23)16-8-7-14-4-1-5-15(14)12-16/h2-3,6-13H,1,4-5H2,(H2,25,26)
InChIKeyFSICASDSTTWVHU-UHFFFAOYSA-N
XLogP4.50
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.35
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;6-(difluoromethyl)pyridine-3-carboxamide
CID 176699283
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(3-methylpyrazol-1-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176981789
1-cyclopropylpyrazole-3-carboxamide;3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699378
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;N-[2-(methylaminomethyl)phenyl]prop-2-enamide
CID 176981679
3-[3-(2,3-dihydro-1H-inden-5-yl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176982134
3-[3-[(1S)-1-(methylamino)-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 177272462
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[6-(methylamino)-2-azaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 176981683
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;4-(oxetan-3-ylmethylamino)piperidine-1-carbaldehyde;prop-1-ene
CID 176981562
3-[3-(2,3-dihydro-1H-inden-5-yl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176982092
N-[(1S)-5-[2-(2-amino-3-pyridinyl)-7-methyl-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-6-(difluoromethyl)pyridine-3-carboxamide
CID 176699004
3-[5-pyrazol-1-yl-3-[1-[(E)-(4-pyridin-2-yltriazol-1-ium-1-ylidene)methyl]-2,3-dihydro-1H-inden-5-yl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699703
3-[3-[1-[(1,1-dioxothian-4-yl)amino]-2,3-dihydro-1H-inden-5-yl]-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
CID 176699649

Frequently Asked Questions

What is the IUPAC name of 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The IUPAC name of 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 176699284) is 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Nc1ncccc1-c1nc2c(Br)cc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
The InChIKey is FSICASDSTTWVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN7/c24-18-13-19(30-11-3-10-27-30)28-23-20(18)29-22(17-6-2-9-26-21(17)25)31(23)16-8-7-14-4-1-5-15(14)12-16/h2-3,6-13H,1,4-5H2,(H2,25,26).
What are the key properties of 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?
3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 472.35 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-bromo-3-(2,3-dihydro-1H-inden-5-yl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 176699284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).