3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

C98H80F2N36O6 — CID 158034727

About 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide

3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 158034727) has the molecular formula C98H80F2N36O6 and a molecular weight of 1895.96 g/mol. Its IUPAC name is 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
• PubChem CID: 158034727
• Molecular Formula: C98H80F2N36O6
• Molecular Weight: 1895.96 g/mol
• Exact Mass: 1894.70
• IUPAC Name: 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
• SMILES: CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7F)cncc6[nH]5)c4c3)c2)CC1
• InChI: InChI=1S/C29H25FN10O.C26H20FN9O.C22H18N8O2.C21H17N9O2/c1-39-6-8-40(9-7-39)29(41)34-19-10-17(12-31-14-19)18-11-21-26(37-38-27(21)33-13-18)28-35-24-16-32-15-22(25(24)36-28)20-4-2-3-5-23(20)30;1-36(2)26(37)31-16-7-14(9-28-11-16)15-8-18-23(34-35-24(18)30-10-15)25-32-21-13-29-12-19(22(21)33-25)17-5-3-4-6-20(17)27;1-2-14(31)6-13-4-3-11(7-25-13)12-5-15-19(29-30-21(15)26-8-12)22-27-17-10-24-9-16(20(23)32)18(17)28-22;1-2-16(31)26-12-3-10(5-23-7-12)11-4-13-18(29-30-20(13)25-6-11)21-27-15-9-24-8-14(19(22)32)17(15)28-21/h2-5,10-16H,6-9H2,1H3,(H,34,41)(H,35,36)(H,33,37,38);3-13H,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);3-5,7-10H,2,6H2,1H3,(H2,23,32)(H,27,28)(H,26,29,30);3-9H,2H2,1H3,(H2,22,32)(H,26,31)(H,27,28)(H,25,29,30)
• InChIKey: FHPNAQZKEGOXSQ-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 584.39 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1895.96
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The IUPAC name of 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide (CID 158034727) is 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide.

What is the SMILES notation for 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The canonical SMILES for 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(N)=O)cncc5[nH]4)c3c2)c1.CN(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccc6F)cncc5[nH]4)c3c2)c1.CN1CCN(C(=O)Nc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccc7F)cncc6[nH]5)c4c3)c2)CC1.

What is the InChIKey of 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

The InChIKey is FHPNAQZKEGOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN10O.C26H20FN9O.C22H18N8O2.C21H17N9O2/c1-39-6-8-40(9-7-39)29(41)34-19-10-17(12-31-14-19)18-11-21-26(37-38-27(21)33-13-18)28-35-24-16-32-15-22(25(24)36-28)20-4-2-3-5-23(20)30;1-36(2)26(37)31-16-7-14(9-28-11-16)15-8-18-23(34-35-24(18)30-10-15)25-32-21-13-29-12-19(22(21)33-25)17-5-3-4-6-20(17)27;1-2-14(31)6-13-4-3-11(7-25-13)12-5-15-19(29-30-21(15)26-8-12)22-27-17-10-24-9-16(20(23)32)18(17)28-22;1-2-16(31)26-12-3-10(5-23-7-12)11-4-13-18(29-30-20(13)25-6-11)21-27-15-9-24-8-14(19(22)32)17(15)28-21/h2-5,10-16H,6-9H2,1H3,(H,34,41)(H,35,36)(H,33,37,38);3-13H,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);3-5,7-10H,2,6H2,1H3,(H2,23,32)(H,27,28)(H,26,29,30);3-9H,2H2,1H3,(H2,22,32)(H,26,31)(H,27,28)(H,25,29,30).

What are the key properties of 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide?

3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 1895.96 g/mol, XLogP of 14.39, 19 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 158034727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).