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

C30H24BrF2N9O — CID 176699283

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;6-(difluoromethyl)pyridine-3-carboxamide

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 (PubChem CID 176699283) has the molecular formula C30H24BrF2N9O and a molecular weight of 644.48 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;6-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 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
• PubChem CID: 176699283
• Molecular Formula: C30H24BrF2N9O
• Molecular Weight: 644.48 g/mol
• Exact Mass: 643.13
• IUPAC Name: 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
• SMILES: NC(=O)c1ccc(C(F)F)nc1.Nc1ncccc1-c1nc2c(Br)cc(-n3cccn3)nc2n1-c1ccc2c(c1)CCC2
• InChI: InChI=1S/C23H18BrN7.C7H6F2N2O/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;8-6(9)5-2-1-4(3-11-5)7(10)12/h2-3,6-13H,1,4-5H2,(H2,25,26);1-3,6H,(H2,10,12)
• InChIKey: PFZOZLUGGSBLGU-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 143.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.48
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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;6-(difluoromethyl)pyridine-3-carboxamide?

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;6-(difluoromethyl)pyridine-3-carboxamide (CID 176699283) 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;6-(difluoromethyl)pyridine-3-carboxamide.

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;6-(difluoromethyl)pyridine-3-carboxamide?

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;6-(difluoromethyl)pyridine-3-carboxamide is NC(=O)c1ccc(C(F)F)nc1.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;6-(difluoromethyl)pyridine-3-carboxamide?

The InChIKey is PFZOZLUGGSBLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN7.C7H6F2N2O/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;8-6(9)5-2-1-4(3-11-5)7(10)12/h2-3,6-13H,1,4-5H2,(H2,25,26);1-3,6H,(H2,10,12).

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;6-(difluoromethyl)pyridine-3-carboxamide?

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 has a molecular weight of 644.48 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 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;6-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 176699283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).