2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

C136H123F2N45O4 — CID 158661368

IUPAC2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C29H25N9O.C28H23N9O.C27H21F2N9.C27H29N9O.C25H25N9O/c39-29(17-6-2-1-3-7-17)34-20-10-18(12-30-14-20)19-11-21-26(37-38-27(21)33-13-19)28-35-24-16-31-15-22(25(24)36-28)23-8-4-5-9-32-23;38-28(16-5-1-2-6-16)33-19-9-17(11-29-13-19)18-10-20-25(36-37-26(20)32-12-18)27-34-23-15-30-14-21(24(23)35-27)22-7-3-4-8-31-22;28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h4-5,8-17H,1-3,6-7H2,(H,34,39)(H,35,36)(H,33,37,38);3-4,7-16H,1-2,5-6H2,(H,33,38)(H,34,35)(H,32,36,37);1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33)
InChIKeyICUKVMPLECXRQR-UHFFFAOYSA-N
MW2489.79 g/mol
LogP24.78
Rot. Bonds26

About 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (PubChem CID 158661368) has the molecular formula C136H123F2N45O4 and a molecular weight of 2489.79 g/mol. Its IUPAC name is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.

Molecular Properties

Compound Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
PubChem CID158661368
Molecular FormulaC136H123F2N45O4
Molecular Weight2489.79 g/mol
Exact Mass2488.08
IUPAC Name2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
SMILESCC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCCC1
InChIInChI=1S/C29H25N9O.C28H23N9O.C27H21F2N9.C27H29N9O.C25H25N9O/c39-29(17-6-2-1-3-7-17)34-20-10-18(12-30-14-20)19-11-21-26(37-38-27(21)33-13-19)28-35-24-16-31-15-22(25(24)36-28)23-8-4-5-9-32-23;38-28(16-5-1-2-6-16)33-19-9-17(11-29-13-19)18-10-20-25(36-37-26(20)32-12-18)27-34-23-15-30-14-21(24(23)35-27)22-7-3-4-8-31-22;28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h4-5,8-17H,1-3,6-7H2,(H,34,39)(H,35,36)(H,33,37,38);3-4,7-16H,1-2,5-6H2,(H,33,38)(H,34,35)(H,32,36,37);1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33)
InChIKeyICUKVMPLECXRQR-UHFFFAOYSA-N
XLogP24.78
TPSA644.94 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002489.79
LogP ≤ 524.78
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide with MolForge

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Related Compounds

[(1S,5R)-3-[10-[6-(1H-imidazol-2-yl)-3-pyridinyl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 136259916
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136132591
US10544143, Example 919
CID 138686379
US10544143, Example 909
CID 138687056
N-[5-[3-[7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136064503
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
CID 136132592
3-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea
CID 136132594
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136193359
N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136193654
2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]acetamide
CID 136213591
N-(5-(3-(7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)pivalamide
CID 136213592
3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 136213593

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The IUPAC name of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide (CID 158661368) is 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide.
What is the SMILES notation for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The canonical SMILES for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is CC(C)CC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.FC1(F)CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7ccccn7)cncc6[nH]5)c4c3)c2)C1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCC1.O=C(Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
The InChIKey is ICUKVMPLECXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O.C28H23N9O.C27H21F2N9.C27H29N9O.C25H25N9O/c39-29(17-6-2-1-3-7-17)34-20-10-18(12-30-14-20)19-11-21-26(37-38-27(21)33-13-19)28-35-24-16-31-15-22(25(24)36-28)23-8-4-5-9-32-23;38-28(16-5-1-2-6-16)33-19-9-17(11-29-13-19)18-10-20-25(36-37-26(20)32-12-18)27-34-23-15-30-14-21(24(23)35-27)22-7-3-4-8-31-22;28-27(29)4-6-38(15-27)14-16-7-17(10-30-9-16)18-8-19-24(36-37-25(19)33-11-18)26-34-22-13-31-12-20(23(22)35-26)21-3-1-2-5-32-21;1-16(2)8-23(37)31-19-9-17(11-28-13-19)18-10-20-24(34-35-26(20)30-12-18)27-32-21-14-29-15-22(25(21)33-27)36-6-4-3-5-7-36;1-2-21(35)29-17-8-15(10-26-12-17)16-9-18-22(32-33-24(18)28-11-16)25-30-19-13-27-14-20(23(19)31-25)34-6-4-3-5-7-34/h4-5,8-17H,1-3,6-7H2,(H,34,39)(H,35,36)(H,33,37,38);3-4,7-16H,1-2,5-6H2,(H,33,38)(H,34,35)(H,32,36,37);1-3,5,7-13H,4,6,14-15H2,(H,34,35)(H,33,36,37);9-16H,3-8H2,1-2H3,(H,31,37)(H,32,33)(H,30,34,35);8-14H,2-7H2,1H3,(H,29,35)(H,30,31)(H,28,32,33).
What are the key properties of 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide?
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide has a molecular weight of 2489.79 g/mol, XLogP of 24.78, 26 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-pyridin-2-yl-3H-imidazo[4,5-c]pyridine;3-methyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide is sourced from PubChem (CID 158661368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).