N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

C25H25BrF2N8O2 — CID 19501552

About N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide

N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (PubChem CID 19501552) has the molecular formula C25H25BrF2N8O2 and a molecular weight of 587.43 g/mol. Its IUPAC name is N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
• PubChem CID: 19501552
• Molecular Formula: C25H25BrF2N8O2
• Molecular Weight: 587.43 g/mol
• Exact Mass: 586.13
• IUPAC Name: N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide
• SMILES: Cc1nn(Cn2nc(C)c(NC(=O)Cn3nc(C)c4c(C(F)F)cc(-c5ccco5)nc43)c2C)c(C)c1Br
• InChI: InChI=1S/C25H25BrF2N8O2/c1-12-21-17(24(27)28)9-18(19-7-6-8-38-19)29-25(21)34(31-12)10-20(37)30-23-14(3)33-36(16(23)5)11-35-15(4)22(26)13(2)32-35/h6-9,24H,10-11H2,1-5H3,(H,30,37)
• InChIKey: IXGLYCPYYPOZLT-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 108.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.43
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The IUPAC name of N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide (CID 19501552) is N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide.

What is the SMILES notation for N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The canonical SMILES for N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is Cc1nn(Cn2nc(C)c(NC(=O)Cn3nc(C)c4c(C(F)F)cc(-c5ccco5)nc43)c2C)c(C)c1Br.

What is the InChIKey of N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

The InChIKey is IXGLYCPYYPOZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrF2N8O2/c1-12-21-17(24(27)28)9-18(19-7-6-8-38-19)29-25(21)34(31-12)10-20(37)30-23-14(3)33-36(16(23)5)11-35-15(4)22(26)13(2)32-35/h6-9,24H,10-11H2,1-5H3,(H,30,37).

What are the key properties of N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide?

N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide has a molecular weight of 587.43 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[4-(difluoromethyl)-6-(furan-2-yl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]acetamide is sourced from PubChem (CID 19501552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).