N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C136H113F2N35O4S5 — CID 160978215

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)cccc5[nH]4)c3c2)c1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)s1
InChIInChI=1S/C30H29N7S.C29H25N7O2S.C28H23F2N7S.C27H21N7O2S.C22H15N7S/c1-18-9-10-26(38-18)23-7-4-8-25-27(23)35-30(34-25)28-24-12-22(17-33-29(24)37-36-28)21-11-20(15-32-16-21)14-31-13-19-5-2-3-6-19;1-15(2)9-25(38)32-19-10-17(12-30-14-19)18-11-21-27(35-36-28(21)31-13-18)29-33-22-6-4-5-20(26(22)34-29)24-8-7-23(39-24)16(3)37;1-16-5-6-23(38-16)20-3-2-4-22-24(20)34-27(33-22)25-21-10-19(13-32-26(21)36-35-25)18-9-17(11-31-12-18)14-37-8-7-28(29,30)15-37;1-3-23(36)30-17-9-15(11-28-13-17)16-10-19-25(33-34-26(19)29-12-16)27-31-20-6-4-5-18(24(20)32-27)22-8-7-21(37-22)14(2)35;1-12-5-6-18(30-12)15-3-2-4-17-19(15)27-22(26-17)20-16-7-13(10-25-21(16)29-28-20)14-8-23-11-24-9-14/h4,7-12,15-17,19,31H,2-3,5-6,13-14H2,1H3,(H,34,35)(H,33,36,37);4-8,10-15H,9H2,1-3H3,(H,32,38)(H,33,34)(H,31,35,36);2-6,9-13H,7-8,14-15H2,1H3,(H,33,34)(H,32,35,36);4-13H,3H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);2-11H,1H3,(H,26,27)(H,25,28,29)
InChIKeySZDVEGZVRTZAES-UHFFFAOYSA-N
MW2499.97 g/mol
LogP30.64
Rot. Bonds28

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 160978215) has the molecular formula C136H113F2N35O4S5 and a molecular weight of 2499.97 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID160978215
Molecular FormulaC136H113F2N35O4S5
Molecular Weight2499.97 g/mol
Exact Mass2497.83
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)cccc5[nH]4)c3c2)c1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)s1
InChIInChI=1S/C30H29N7S.C29H25N7O2S.C28H23F2N7S.C27H21N7O2S.C22H15N7S/c1-18-9-10-26(38-18)23-7-4-8-25-27(23)35-30(34-25)28-24-12-22(17-33-29(24)37-36-28)21-11-20(15-32-16-21)14-31-13-19-5-2-3-6-19;1-15(2)9-25(38)32-19-10-17(12-30-14-19)18-11-21-27(35-36-28(21)31-13-18)29-33-22-6-4-5-20(26(22)34-29)24-8-7-23(39-24)16(3)37;1-16-5-6-23(38-16)20-3-2-4-22-24(20)34-27(33-22)25-21-10-19(13-32-26(21)36-35-25)18-9-17(11-31-12-18)14-37-8-7-28(29,30)15-37;1-3-23(36)30-17-9-15(11-28-13-17)16-10-19-25(33-34-26(19)29-12-16)27-31-20-6-4-5-18(24(20)32-27)22-8-7-21(37-22)14(2)35;1-12-5-6-18(30-12)15-3-2-4-17-19(15)27-22(26-17)20-16-7-13(10-25-21(16)29-28-20)14-8-23-11-24-9-14/h4,7-12,15-17,19,31H,2-3,5-6,13-14H2,1H3,(H,34,35)(H,33,36,37);4-8,10-15H,9H2,1-3H3,(H,32,38)(H,33,34)(H,31,35,36);2-6,9-13H,7-8,14-15H2,1H3,(H,33,34)(H,32,35,36);4-13H,3H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);2-11H,1H3,(H,26,27)(H,25,28,29)
InChIKeySZDVEGZVRTZAES-UHFFFAOYSA-N
XLogP30.64
TPSA536.20 Ų
H-Bond Donors13
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002499.97
LogP ≤ 530.64
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1032

Analyze N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-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-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136495743
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136495809
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136496086
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136496087
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136496098
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136496154
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136942379
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
CID 136942429
N-[5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136942802
N-[5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136942829
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136942844
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136942847

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 160978215) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is CC(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)s1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)cccc5[nH]4)c3c2)c1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)s1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is SZDVEGZVRTZAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7S.C29H25N7O2S.C28H23F2N7S.C27H21N7O2S.C22H15N7S/c1-18-9-10-26(38-18)23-7-4-8-25-27(23)35-30(34-25)28-24-12-22(17-33-29(24)37-36-28)21-11-20(15-32-16-21)14-31-13-19-5-2-3-6-19;1-15(2)9-25(38)32-19-10-17(12-30-14-19)18-11-21-27(35-36-28(21)31-13-18)29-33-22-6-4-5-20(26(22)34-29)24-8-7-23(39-24)16(3)37;1-16-5-6-23(38-16)20-3-2-4-22-24(20)34-27(33-22)25-21-10-19(13-32-26(21)36-35-25)18-9-17(11-31-12-18)14-37-8-7-28(29,30)15-37;1-3-23(36)30-17-9-15(11-28-13-17)16-10-19-25(33-34-26(19)29-12-16)27-31-20-6-4-5-18(24(20)32-27)22-8-7-21(37-22)14(2)35;1-12-5-6-18(30-12)15-3-2-4-17-19(15)27-22(26-17)20-16-7-13(10-25-21(16)29-28-20)14-8-23-11-24-9-14/h4,7-12,15-17,19,31H,2-3,5-6,13-14H2,1H3,(H,34,35)(H,33,36,37);4-8,10-15H,9H2,1-3H3,(H,32,38)(H,33,34)(H,31,35,36);2-6,9-13H,7-8,14-15H2,1H3,(H,33,34)(H,32,35,36);4-13H,3H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);2-11H,1H3,(H,26,27)(H,25,28,29).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2499.97 g/mol, XLogP of 30.64, 28 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[4-(5-methylthiophen-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-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 160978215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).