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

C141H114F2N40O — CID 157358624

IUPAC1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1)C1CCCCC1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)nc1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)nc1.c1ccc(CNCc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C31H24N8.C30H26N8O.C30H28N8.C28H22F2N8.C22H14N8/c1-2-7-20(8-3-1)15-32-16-21-13-22(18-33-17-21)23-14-25-29(38-39-30(25)35-19-23)31-36-27-11-6-9-24(28(27)37-31)26-10-4-5-12-34-26;39-30(18-7-2-1-3-8-18)34-21-13-19(15-31-17-21)20-14-23-27(37-38-28(23)33-16-20)29-35-25-11-6-9-22(26(25)36-29)24-10-4-5-12-32-24;1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)22-13-24-28(37-38-29(24)34-18-22)30-35-26-10-5-8-23(27(26)36-30)25-9-3-4-11-33-25;29-28(30)7-9-38(16-28)15-17-10-18(13-31-12-17)19-11-21-25(36-37-26(21)33-14-19)27-34-23-6-3-4-20(24(23)35-27)22-5-1-2-8-32-22;1-2-7-25-17(5-1)15-4-3-6-18-19(15)28-22(27-18)20-16-8-13(11-26-21(16)30-29-20)14-9-23-12-24-10-14/h1-14,17-19,32H,15-16H2,(H,36,37)(H,35,38,39);4-6,9-18H,1-3,7-8H2,(H,34,39)(H,35,36)(H,33,37,38);3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,34,37,38);1-6,8,10-14H,7,9,15-16H2,(H,34,35)(H,33,36,37);1-12H,(H,27,28)(H,26,29,30)
InChIKeyBIJLDPSQOTXECC-UHFFFAOYSA-N
MW2422.74 g/mol
LogP27.45
Rot. Bonds27

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

1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157358624) has the molecular formula C141H114F2N40O and a molecular weight of 2422.74 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID157358624
Molecular FormulaC141H114F2N40O
Molecular Weight2422.74 g/mol
Exact Mass2421.01
IUPAC Name1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESFC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1)C1CCCCC1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)nc1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)nc1.c1ccc(CNCc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C31H24N8.C30H26N8O.C30H28N8.C28H22F2N8.C22H14N8/c1-2-7-20(8-3-1)15-32-16-21-13-22(18-33-17-21)23-14-25-29(38-39-30(25)35-19-23)31-36-27-11-6-9-24(28(27)37-31)26-10-4-5-12-34-26;39-30(18-7-2-1-3-8-18)34-21-13-19(15-31-17-21)20-14-23-27(37-38-28(23)33-16-20)29-35-25-11-6-9-22(26(25)36-29)24-10-4-5-12-32-24;1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)22-13-24-28(37-38-29(24)34-18-22)30-35-26-10-5-8-23(27(26)36-30)25-9-3-4-11-33-25;29-28(30)7-9-38(16-28)15-17-10-18(13-31-12-17)19-11-21-25(36-37-26(21)33-14-19)27-34-23-6-3-4-20(24(23)35-27)22-5-1-2-8-32-22;1-2-7-25-17(5-1)15-4-3-6-18-19(15)28-22(27-18)20-16-8-13(11-26-21(16)30-29-20)14-9-23-12-24-10-14/h1-14,17-19,32H,15-16H2,(H,36,37)(H,35,38,39);4-6,9-18H,1-3,7-8H2,(H,34,39)(H,35,36)(H,33,37,38);3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,34,37,38);1-6,8,10-14H,7,9,15-16H2,(H,34,35)(H,33,36,37);1-12H,(H,27,28)(H,26,29,30)
InChIKeyBIJLDPSQOTXECC-UHFFFAOYSA-N
XLogP27.45
TPSA549.44 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.74
LogP ≤ 527.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

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

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Launch Full Analysis

Related Compounds

N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136132618
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136213712
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]pentanamide
CID 136214335
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136214336
N-[5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136214337
N-[5-[3-[7-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136214338
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 136214342
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136214343
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136214345
N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136214346
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214354
2-piperidin-4-yl-N-[5-[3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137038550

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 157358624) is 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-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-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cccc5[nH]4)c3c2)c1)C1CCCCC1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)nc1.c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)nc1.c1ccc(CNCc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BIJLDPSQOTXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N8.C30H26N8O.C30H28N8.C28H22F2N8.C22H14N8/c1-2-7-20(8-3-1)15-32-16-21-13-22(18-33-17-21)23-14-25-29(38-39-30(25)35-19-23)31-36-27-11-6-9-24(28(27)37-31)26-10-4-5-12-34-26;39-30(18-7-2-1-3-8-18)34-21-13-19(15-31-17-21)20-14-23-27(37-38-28(23)33-16-20)29-35-25-11-6-9-22(26(25)36-29)24-10-4-5-12-32-24;1-2-7-19(6-1)14-31-15-20-12-21(17-32-16-20)22-13-24-28(37-38-29(24)34-18-22)30-35-26-10-5-8-23(27(26)36-30)25-9-3-4-11-33-25;29-28(30)7-9-38(16-28)15-17-10-18(13-31-12-17)19-11-21-25(36-37-26(21)33-14-19)27-34-23-6-3-4-20(24(23)35-27)22-5-1-2-8-32-22;1-2-7-25-17(5-1)15-4-3-6-18-19(15)28-22(27-18)20-16-8-13(11-26-21(16)30-29-20)14-9-23-12-24-10-14/h1-14,17-19,32H,15-16H2,(H,36,37)(H,35,38,39);4-6,9-18H,1-3,7-8H2,(H,34,39)(H,35,36)(H,33,37,38);3-5,8-13,16-19,31H,1-2,6-7,14-15H2,(H,35,36)(H,34,37,38);1-6,8,10-14H,7,9,15-16H2,(H,34,35)(H,33,36,37);1-12H,(H,27,28)(H,26,29,30).
What are the key properties of 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2422.74 g/mol, XLogP of 27.45, 27 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[3-(4-pyridin-2-yl-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-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine;1-phenyl-N-[[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;N-[5-[3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;3-(4-pyridin-2-yl-1H-benzimidazol-2-yl)-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157358624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).