2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

C109H111N31O8 — CID 157149804

IUPAC2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cccc5[nH]4)c3c2)cn1.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12
InChIInChI=1S/C28H30N8O2.C27H26N8O2.C27H28N8O2.C27H27N7O2/c1-5-36(6-2)28(38)20-8-7-9-22-24(20)33-27(32-22)25-21-12-18(14-30-26(21)35-34-25)17-11-19(15-29-13-17)31-23(37)10-16(3)4;1-3-35(4-2)27(37)19-6-5-7-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15-8-9-15;1-5-35(6-2)27(37)19-8-7-9-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15(3)4;1-4-19(35)13-18-11-10-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-9-7-8-20(23(22)31-26)27(36)34(5-2)6-3/h7-9,11-16H,5-6,10H2,1-4H3,(H,31,37)(H,32,33)(H,30,34,35);5-7,10-15H,3-4,8-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);7-15H,5-6H2,1-4H3,(H,30,36)(H,31,32)(H,29,33,34);7-12,14-15H,4-6,13H2,1-3H3,(H,30,31)(H,29,32,33)
InChIKeyALCVGDOPVJVCHA-UHFFFAOYSA-N
MW1983.30 g/mol
LogP18.63
Rot. Bonds30

About 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide

2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 157149804) has the molecular formula C109H111N31O8 and a molecular weight of 1983.30 g/mol. Its IUPAC name is 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID157149804
Molecular FormulaC109H111N31O8
Molecular Weight1983.30 g/mol
Exact Mass1981.92
IUPAC Name2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cccc5[nH]4)c3c2)cn1.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12
InChIInChI=1S/C28H30N8O2.C27H26N8O2.C27H28N8O2.C27H27N7O2/c1-5-36(6-2)28(38)20-8-7-9-22-24(20)33-27(32-22)25-21-12-18(14-30-26(21)35-34-25)17-11-19(15-29-13-17)31-23(37)10-16(3)4;1-3-35(4-2)27(37)19-6-5-7-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15-8-9-15;1-5-35(6-2)27(37)19-8-7-9-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15(3)4;1-4-19(35)13-18-11-10-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-9-7-8-20(23(22)31-26)27(36)34(5-2)6-3/h7-9,11-16H,5-6,10H2,1-4H3,(H,31,37)(H,32,33)(H,30,34,35);5-7,10-15H,3-4,8-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);7-15H,5-6H2,1-4H3,(H,30,36)(H,31,32)(H,29,33,34);7-12,14-15H,4-6,13H2,1-3H3,(H,30,31)(H,29,32,33)
InChIKeyALCVGDOPVJVCHA-UHFFFAOYSA-N
XLogP18.63
TPSA518.17 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001983.30
LogP ≤ 518.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide
CID 135497783
N-isopropyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
CID 135497869
N,N-diethyl-2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazole-4-carboxamide
CID 135497870
N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide
CID 135497872
N-[5-[3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136214355
US20240025884, Example 501
CID 170672764
US20240025884, Example 302
CID 170672803
US20240025884, Example 315
CID 170672807
US20240025884, Example 319
CID 170672812
US20240025884, Example 306
CID 170672836
US20240025884, Example 412
CID 170672873
US20240025884, Example 316
CID 170672878

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide (CID 157149804) is 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N(CC)CC)cccc5[nH]4)c3c2)cn1.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.CCN(CC)C(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12.
What is the InChIKey of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is ALCVGDOPVJVCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O2.C27H26N8O2.C27H28N8O2.C27H27N7O2/c1-5-36(6-2)28(38)20-8-7-9-22-24(20)33-27(32-22)25-21-12-18(14-30-26(21)35-34-25)17-11-19(15-29-13-17)31-23(37)10-16(3)4;1-3-35(4-2)27(37)19-6-5-7-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15-8-9-15;1-5-35(6-2)27(37)19-8-7-9-21-22(19)32-25(31-21)23-20-11-17(13-29-24(20)34-33-23)16-10-18(14-28-12-16)30-26(36)15(3)4;1-4-19(35)13-18-11-10-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-9-7-8-20(23(22)31-26)27(36)34(5-2)6-3/h7-9,11-16H,5-6,10H2,1-4H3,(H,31,37)(H,32,33)(H,30,34,35);5-7,10-15H,3-4,8-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);7-15H,5-6H2,1-4H3,(H,30,36)(H,31,32)(H,29,33,34);7-12,14-15H,4-6,13H2,1-3H3,(H,30,31)(H,29,32,33).
What are the key properties of 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 1983.30 g/mol, XLogP of 18.63, 30 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-N,N-diethyl-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 157149804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).