N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

C109H82N36O2 — CID 160680320

About N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide

N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (PubChem CID 160680320) has the molecular formula C109H82N36O2 and a molecular weight of 1928.10 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• PubChem CID: 160680320
• Molecular Formula: C109H82N36O2
• Molecular Weight: 1928.10 g/mol
• Exact Mass: 1926.74
• IUPAC Name: N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
• SMILES: CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.CN(C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)c1ccccc1
• InChI: InChI=1S/C30H21N9O.C29H19N9O.2C25H21N9/c40-26(10-18-6-2-1-3-7-18)35-21-11-19(13-31-15-21)20-12-22-28(38-39-29(22)34-14-20)30-36-25-17-32-16-23(27(25)37-30)24-8-4-5-9-33-24;39-29(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;1-34(2)14-15-7-16(10-26-9-15)17-8-18-23(32-33-24(18)29-11-17)25-30-21-13-27-12-19(22(21)31-25)20-5-3-4-6-28-20;1-14(2)30-17-7-15(9-26-11-17)16-8-18-23(33-34-24(18)29-10-16)25-31-21-13-27-12-19(22(21)32-25)20-5-3-4-6-28-20/h1-9,11-17H,10H2,(H,35,40)(H,36,37)(H,34,38,39);1-16H,(H,34,39)(H,35,36)(H,33,37,38);3-13H,14H2,1-2H3,(H,30,31)(H,29,32,33);3-14,30H,1-2H3,(H,31,32)(H,29,33,34)
• InChIKey: ROBDFPAAGXBREG-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 509.15 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1928.10
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The IUPAC name of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide (CID 160680320) is N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide.

What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is CC(C)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.CN(C)Cc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.O=C(Cc1ccccc1)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6ccccn6)cncc5[nH]4)c3c2)c1)c1ccccc1.

What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

The InChIKey is ROBDFPAAGXBREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N9O.C29H19N9O.2C25H21N9/c40-26(10-18-6-2-1-3-7-18)35-21-11-19(13-31-15-21)20-12-22-28(38-39-29(22)34-14-20)30-36-25-17-32-16-23(27(25)37-30)24-8-4-5-9-33-24;39-29(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;1-34(2)14-15-7-16(10-26-9-15)17-8-18-23(32-33-24(18)29-11-17)25-30-21-13-27-12-19(22(21)31-25)20-5-3-4-6-28-20;1-14(2)30-17-7-15(9-26-11-17)16-8-18-23(33-34-24(18)29-10-16)25-31-21-13-27-12-19(22(21)32-25)20-5-3-4-6-28-20/h1-9,11-17H,10H2,(H,35,40)(H,36,37)(H,34,38,39);1-16H,(H,34,39)(H,35,36)(H,33,37,38);3-13H,14H2,1-2H3,(H,30,31)(H,29,32,33);3-14,30H,1-2H3,(H,31,32)(H,29,33,34).

What are the key properties of N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide?

N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide has a molecular weight of 1928.10 g/mol, XLogP of 19.40, 21 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine;2-phenyl-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]acetamide;N-propan-2-yl-5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;N-[5-[3-(7-pyridin-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 160680320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).