N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide

C48H33F2N15O3 — CID 145037485

About N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 145037485) has the molecular formula C48H33F2N15O3 and a molecular weight of 905.89 g/mol. Its IUPAC name is N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 145037485
• Molecular Formula: C48H33F2N15O3
• Molecular Weight: 905.89 g/mol
• Exact Mass: 905.29
• IUPAC Name: N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: Cc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5cocc5-c5nc(-c6cncc(NC(=O)CC(C)C)c6)c(F)c6c(-c7nc8c(-c9ccoc9)cncc8[nH]7)n[nH]c56)cncc4[nH]3)c2c1F
• InChI: InChI=1S/C48H33F2N15O3/c1-21(2)8-34(66)56-25-9-24(10-52-11-25)39-38(50)36-44(63-65-46(36)48-57-32-15-53-13-27(40(32)60-48)23-5-7-67-18-23)43(59-39)30-20-68-19-29(30)28-14-54-16-33-41(28)61-47(58-33)45-35-31(62-64-45)17-55-42(37(35)49)26-12-51-6-4-22(26)3/h4-7,9-21H,8H2,1-3H3,(H,56,66)(H,57,60)(H,58,61)(H,62,64)(H,63,65)
• InChIKey: WLUHDVCPXUJBLW-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 247.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	905.89
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?

The IUPAC name of N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 145037485) is N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide.

What is the SMILES notation for N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?

The canonical SMILES for N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is Cc1ccncc1-c1ncc2[nH]nc(-c3nc4c(-c5cocc5-c5nc(-c6cncc(NC(=O)CC(C)C)c6)c(F)c6c(-c7nc8c(-c9ccoc9)cncc8[nH]7)n[nH]c56)cncc4[nH]3)c2c1F.

What is the InChIKey of N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?

The InChIKey is WLUHDVCPXUJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33F2N15O3/c1-21(2)8-34(66)56-25-9-24(10-52-11-25)39-38(50)36-44(63-65-46(36)48-57-32-15-53-13-27(40(32)60-48)23-5-7-67-18-23)43(59-39)30-20-68-19-29(30)28-14-54-16-33-41(28)61-47(58-33)45-35-31(62-64-45)17-55-42(37(35)49)26-12-51-6-4-22(26)3/h4-7,9-21H,8H2,1-3H3,(H,56,66)(H,57,60)(H,58,61)(H,62,64)(H,63,65).

What are the key properties of N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide?

N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 905.89 g/mol, XLogP of 9.99, 10 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]furan-3-yl]-3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 145037485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).