N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide

C103H81N27O5 — CID 157423914

About N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide

N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 157423914) has the molecular formula C103H81N27O5 and a molecular weight of 1776.96 g/mol. Its IUPAC name is N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
• PubChem CID: 157423914
• Molecular Formula: C103H81N27O5
• Molecular Weight: 1776.96 g/mol
• Exact Mass: 1775.69
• IUPAC Name: N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
• SMILES: CC(C)(C)NC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CC(C)NC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.O=C(O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12
• InChI: InChI=1S/2C27H23N7O.C26H21N7O.C23H14N6O2/c1-27(2,3)32-26(35)18-9-6-10-21-22(18)31-25(30-21)23-19-11-16(13-29-24(19)34-33-23)20-14-28-12-15-7-4-5-8-17(15)20;1-3-34(4-2)27(35)19-10-7-11-22-23(19)31-26(30-22)24-20-12-17(14-29-25(20)33-32-24)21-15-28-13-16-8-5-6-9-18(16)21;1-14(2)29-26(34)18-8-5-9-21-22(18)31-25(30-21)23-19-10-16(12-28-24(19)33-32-23)20-13-27-11-15-6-3-4-7-17(15)20;30-23(31)15-6-3-7-18-19(15)27-22(26-18)20-16-8-13(10-25-21(16)29-28-20)17-11-24-9-12-4-1-2-5-14(12)17/h4-14H,1-3H3,(H,30,31)(H,32,35)(H,29,33,34);5-15H,3-4H2,1-2H3,(H,30,31)(H,29,32,33);3-14H,1-2H3,(H,29,34)(H,30,31)(H,28,32,33);1-11H,(H,26,27)(H,30,31)(H,25,28,29)
• InChIKey: BPSUOBVRGUPCII-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 448.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.96
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide?

The IUPAC name of N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 157423914) is N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide?

The canonical SMILES for N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide is CC(C)(C)NC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CC(C)NC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.O=C(O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.

What is the InChIKey of N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide?

The InChIKey is BPSUOBVRGUPCII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H23N7O.C26H21N7O.C23H14N6O2/c1-27(2,3)32-26(35)18-9-6-10-21-22(18)31-25(30-21)23-19-11-16(13-29-24(19)34-33-23)20-14-28-12-15-7-4-5-8-17(15)20;1-3-34(4-2)27(35)19-10-7-11-22-23(19)31-26(30-22)24-20-12-17(14-29-25(20)33-32-24)21-15-28-13-16-8-5-6-9-18(16)21;1-14(2)29-26(34)18-8-5-9-21-22(18)31-25(30-21)23-19-10-16(12-28-24(19)33-32-23)20-13-27-11-15-6-3-4-7-17(15)20;30-23(31)15-6-3-7-18-19(15)27-22(26-18)20-16-8-13(10-25-21(16)29-28-20)17-11-24-9-12-4-1-2-5-14(12)17/h4-14H,1-3H3,(H,30,31)(H,32,35)(H,29,33,34);5-15H,3-4H2,1-2H3,(H,30,31)(H,29,32,33);3-14H,1-2H3,(H,29,34)(H,30,31)(H,28,32,33);1-11H,(H,26,27)(H,30,31)(H,25,28,29).

What are the key properties of N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide?

N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 1776.96 g/mol, XLogP of 19.71, 15 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 157423914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).