N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

C103H84F2N32O2S4 — CID 158211058

About N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158211058) has the molecular formula C103H84F2N32O2S4 and a molecular weight of 1968.29 g/mol. Its IUPAC name is N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 158211058
• Molecular Formula: C103H84F2N32O2S4
• Molecular Weight: 1968.29 g/mol
• Exact Mass: 1966.63
• IUPAC Name: N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)cncc5[nH]4)c3c2)c1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)s1
• InChI: InChI=1S/C29H28N8S.C27H22F2N8S.C26H20N8O2S.C21H14N8S/c1-17-6-7-25(38-17)23-15-32-16-24-26(23)35-29(34-24)27-22-9-21(14-33-28(22)37-36-27)20-8-19(12-31-13-20)11-30-10-18-4-2-3-5-18;1-15-2-3-22(38-15)20-11-31-12-21-23(20)34-26(33-21)24-19-7-18(10-32-25(19)36-35-24)17-6-16(8-30-9-17)13-37-5-4-27(28,29)14-37;1-3-22(36)30-16-6-14(8-27-10-16)15-7-17-24(33-34-25(17)29-9-15)26-31-19-12-28-11-18(23(19)32-26)21-5-4-20(37-21)13(2)35;1-11-2-3-17(30-11)15-8-22-9-16-18(15)27-21(26-16)19-14-4-12(7-25-20(14)29-28-19)13-5-23-10-24-6-13/h6-9,12-16,18,30H,2-5,10-11H2,1H3,(H,34,35)(H,33,36,37);2-3,6-12H,4-5,13-14H2,1H3,(H,33,34)(H,32,35,36);4-12H,3H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);2-10H,1H3,(H,26,27)(H,25,28,29)
• InChIKey: GCBURWUKMPJDNN-UHFFFAOYSA-N
• XLogP: 21.74
• TPSA: 458.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.29
LogP ≤ 5	21.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine (CID 158211058) is N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(C)=O)s6)cncc5[nH]4)c3c2)c1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCC(F)(F)C7)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CNCC7CCCC7)c6)cc45)nc23)s1.Cc1ccc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncnc6)cc45)nc23)s1.

What is the InChIKey of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is GCBURWUKMPJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8S.C27H22F2N8S.C26H20N8O2S.C21H14N8S/c1-17-6-7-25(38-17)23-15-32-16-24-26(23)35-29(34-24)27-22-9-21(14-33-28(22)37-36-27)20-8-19(12-31-13-20)11-30-10-18-4-2-3-5-18;1-15-2-3-22(38-15)20-11-31-12-21-23(20)34-26(33-21)24-19-7-18(10-32-25(19)36-35-24)17-6-16(8-30-9-17)13-37-5-4-27(28,29)14-37;1-3-22(36)30-16-6-14(8-27-10-16)15-7-17-24(33-34-25(17)29-9-15)26-31-19-12-28-11-18(23(19)32-26)21-5-4-20(37-21)13(2)35;1-11-2-3-17(30-11)15-8-22-9-16-18(15)27-21(26-16)19-14-4-12(7-25-20(14)29-28-19)13-5-23-10-24-6-13/h6-9,12-16,18,30H,2-5,10-11H2,1H3,(H,34,35)(H,33,36,37);2-3,6-12H,4-5,13-14H2,1H3,(H,33,34)(H,32,35,36);4-12H,3H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);2-10H,1H3,(H,26,27)(H,25,28,29).

What are the key properties of N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine?

N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1968.29 g/mol, XLogP of 21.74, 21 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-cyclopentyl-N-[[5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158211058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).