1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C131H95F7N34 — CID 159759247

IUPAC1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)cc1.Fc1ccccc1-c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cccnc5)cc34)nc12.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H28FN7.C29H22F3N7.C24H16FN7.C24H15FN6.C23H14FN7/c32-24-10-8-21(9-11-24)25-6-3-7-27-28(25)37-31(36-27)29-26-13-23(18-35-30(26)39-38-29)22-12-20(16-34-17-22)15-33-14-19-4-1-2-5-19;30-21-6-4-18(5-7-21)22-2-1-3-24-25(22)36-28(35-24)26-23-11-20(14-34-27(23)38-37-26)19-10-17(12-33-13-19)15-39-9-8-29(31,32)16-39;25-19-6-2-1-4-16(19)17-5-3-7-20-21(17)30-24(29-20)22-18-9-14(11-28-23(18)32-31-22)13-8-15(26)12-27-10-13;25-19-8-2-1-6-16(19)17-7-3-9-20-21(17)29-24(28-20)22-18-11-15(13-27-23(18)31-30-22)14-5-4-10-26-12-14;24-16-6-4-13(5-7-16)17-2-1-3-19-20(17)29-23(28-19)21-18-8-14(11-27-22(18)31-30-21)15-9-25-12-26-10-15/h3,6-13,16-19,33H,1-2,4-5,14-15H2,(H,36,37)(H,35,38,39);1-7,10-14H,8-9,15-16H2,(H,35,36)(H,34,37,38);1-12H,26H2,(H,29,30)(H,28,31,32);1-13H,(H,28,29)(H,27,30,31);1-12H,(H,28,29)(H,27,30,31)
InChIKeyNEQXFUWURYOKRR-UHFFFAOYSA-N
MW2278.42 g/mol
LogP27.94
Rot. Bonds21

About 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 159759247) has the molecular formula C131H95F7N34 and a molecular weight of 2278.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID159759247
Molecular FormulaC131H95F7N34
Molecular Weight2278.42 g/mol
Exact Mass2276.84
IUPAC Name1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)cc1.Fc1ccccc1-c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cccnc5)cc34)nc12.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C31H28FN7.C29H22F3N7.C24H16FN7.C24H15FN6.C23H14FN7/c32-24-10-8-21(9-11-24)25-6-3-7-27-28(25)37-31(36-27)29-26-13-23(18-35-30(26)39-38-29)22-12-20(16-34-17-22)15-33-14-19-4-1-2-5-19;30-21-6-4-18(5-7-21)22-2-1-3-24-25(22)36-28(35-24)26-23-11-20(14-34-27(23)38-37-26)19-10-17(12-33-13-19)15-39-9-8-29(31,32)16-39;25-19-6-2-1-4-16(19)17-5-3-7-20-21(17)30-24(29-20)22-18-9-14(11-28-23(18)32-31-22)13-8-15(26)12-27-10-13;25-19-8-2-1-6-16(19)17-7-3-9-20-21(17)29-24(28-20)22-18-11-15(13-27-23(18)31-30-22)14-5-4-10-26-12-14;24-16-6-4-13(5-7-16)17-2-1-3-19-20(17)29-23(28-19)21-18-8-14(11-27-22(18)31-30-21)15-9-25-12-26-10-15/h3,6-13,16-19,33H,1-2,4-5,14-15H2,(H,36,37)(H,35,38,39);1-7,10-14H,8-9,15-16H2,(H,35,36)(H,34,37,38);1-12H,26H2,(H,29,30)(H,28,31,32);1-13H,(H,28,29)(H,27,30,31);1-12H,(H,28,29)(H,27,30,31)
InChIKeyNEQXFUWURYOKRR-UHFFFAOYSA-N
XLogP27.94
TPSA469.88 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.42
LogP ≤ 527.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 159759247) is 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)cc1.Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)cc1.Fc1ccccc1-c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cccnc5)cc34)nc12.Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccc6F)cccc5[nH]4)c3c2)c1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is NEQXFUWURYOKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN7.C29H22F3N7.C24H16FN7.C24H15FN6.C23H14FN7/c32-24-10-8-21(9-11-24)25-6-3-7-27-28(25)37-31(36-27)29-26-13-23(18-35-30(26)39-38-29)22-12-20(16-34-17-22)15-33-14-19-4-1-2-5-19;30-21-6-4-18(5-7-21)22-2-1-3-24-25(22)36-28(35-24)26-23-11-20(14-34-27(23)38-37-26)19-10-17(12-33-13-19)15-39-9-8-29(31,32)16-39;25-19-6-2-1-4-16(19)17-5-3-7-20-21(17)30-24(29-20)22-18-9-14(11-28-23(18)32-31-22)13-8-15(26)12-27-10-13;25-19-8-2-1-6-16(19)17-7-3-9-20-21(17)29-24(28-20)22-18-11-15(13-27-23(18)31-30-22)14-5-4-10-26-12-14;24-16-6-4-13(5-7-16)17-2-1-3-19-20(17)29-23(28-19)21-18-8-14(11-27-22(18)31-30-21)15-9-25-12-26-10-15/h3,6-13,16-19,33H,1-2,4-5,14-15H2,(H,36,37)(H,35,38,39);1-7,10-14H,8-9,15-16H2,(H,35,36)(H,34,37,38);1-12H,26H2,(H,29,30)(H,28,31,32);1-13H,(H,28,29)(H,27,30,31);1-12H,(H,28,29)(H,27,30,31).
What are the key properties of 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2278.42 g/mol, XLogP of 27.94, 21 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 159759247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).