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

C132H127N31O8 — CID 158801602

IUPACN,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)c1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)cc1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cc1
InChIInChI=1S/C34H34N8O2.C33H32N8O2.C33H31N7O2.C32H30N8O2/c1-5-42(6-2)34(44)22-12-10-21(11-13-22)26-8-7-9-28-30(26)39-33(38-28)31-27-16-24(18-36-32(27)41-40-31)23-15-25(19-35-17-23)37-29(43)14-20(3)4;1-5-41(6-2)33(43)21-12-10-20(11-13-21)25-8-7-9-27-28(25)38-31(37-27)29-26-15-23(17-35-30(26)40-39-29)22-14-24(18-34-16-22)36-32(42)19(3)4;1-4-25(41)17-24-15-14-22(18-34-24)23-16-27-30(38-39-31(27)35-19-23)32-36-28-9-7-8-26(29(28)37-32)20-10-12-21(13-11-20)33(42)40(5-2)6-3;1-4-27(41)35-23-14-21(16-33-18-23)22-15-25-29(38-39-30(25)34-17-22)31-36-26-9-7-8-24(28(26)37-31)19-10-12-20(13-11-19)32(42)40(5-2)6-3/h7-13,15-20H,5-6,14H2,1-4H3,(H,37,43)(H,38,39)(H,36,40,41);7-19H,5-6H2,1-4H3,(H,36,42)(H,37,38)(H,35,39,40);7-16,18-19H,4-6,17H2,1-3H3,(H,36,37)(H,35,38,39);7-18H,4-6H2,1-3H3,(H,35,41)(H,36,37)(H,34,38,39)
InChIKeyITOCORMBVMKGMT-UHFFFAOYSA-N
MW2275.68 g/mol
LogP25.30
Rot. Bonds34

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

N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide (PubChem CID 158801602) has the molecular formula C132H127N31O8 and a molecular weight of 2275.68 g/mol. Its IUPAC name is N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
PubChem CID158801602
Molecular FormulaC132H127N31O8
Molecular Weight2275.68 g/mol
Exact Mass2274.05
IUPAC NameN,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
SMILESCCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)c1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)cc1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cc1
InChIInChI=1S/C34H34N8O2.C33H32N8O2.C33H31N7O2.C32H30N8O2/c1-5-42(6-2)34(44)22-12-10-21(11-13-22)26-8-7-9-28-30(26)39-33(38-28)31-27-16-24(18-36-32(27)41-40-31)23-15-25(19-35-17-23)37-29(43)14-20(3)4;1-5-41(6-2)33(43)21-12-10-20(11-13-21)25-8-7-9-27-28(25)38-31(37-27)29-26-15-23(17-35-30(26)40-39-29)22-14-24(18-34-16-22)36-32(42)19(3)4;1-4-25(41)17-24-15-14-22(18-34-24)23-16-27-30(38-39-31(27)35-19-23)32-36-28-9-7-8-26(29(28)37-32)20-10-12-21(13-11-20)33(42)40(5-2)6-3;1-4-27(41)35-23-14-21(16-33-18-23)22-15-25-29(38-39-30(25)34-17-22)31-36-26-9-7-8-24(28(26)37-31)19-10-12-20(13-11-19)32(42)40(5-2)6-3/h7-13,15-20H,5-6,14H2,1-4H3,(H,37,43)(H,38,39)(H,36,40,41);7-19H,5-6H2,1-4H3,(H,36,42)(H,37,38)(H,35,39,40);7-16,18-19H,4-6,17H2,1-3H3,(H,36,37)(H,35,38,39);7-18H,4-6H2,1-3H3,(H,35,41)(H,36,37)(H,34,38,39)
InChIKeyITOCORMBVMKGMT-UHFFFAOYSA-N
XLogP25.30
TPSA518.17 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002275.68
LogP ≤ 525.30
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

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

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Related Compounds

N-[3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazole-6-carbonyl]phenyl]benzamide
CID 135839317
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137038682
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 315
CID 170672807
US20240025884, Example 319
CID 170672812
US20240025884, Example 306
CID 170672836
US20240025884, Example 412
CID 170672873
US20240025884, Example 316
CID 170672878
US20240025884, Example 295
CID 170672962
US20240025884, Example 408
CID 170672975
US20240025884, Example 320
CID 170672977

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide (CID 158801602) is N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide is CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(=O)N(CC)CC)cc6)cccc5[nH]4)c3c2)c1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)C(C)C)c6)cc45)nc23)cc1.CCN(CC)C(=O)c1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(NC(=O)CC(C)C)c6)cc45)nc23)cc1.
What is the InChIKey of N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
The InChIKey is ITOCORMBVMKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N8O2.C33H32N8O2.C33H31N7O2.C32H30N8O2/c1-5-42(6-2)34(44)22-12-10-21(11-13-22)26-8-7-9-28-30(26)39-33(38-28)31-27-16-24(18-36-32(27)41-40-31)23-15-25(19-35-17-23)37-29(43)14-20(3)4;1-5-41(6-2)33(43)21-12-10-20(11-13-21)25-8-7-9-27-28(25)38-31(37-27)29-26-15-23(17-35-30(26)40-39-29)22-14-24(18-34-16-22)36-32(42)19(3)4;1-4-25(41)17-24-15-14-22(18-34-24)23-16-27-30(38-39-31(27)35-19-23)32-36-28-9-7-8-26(29(28)37-32)20-10-12-21(13-11-20)33(42)40(5-2)6-3;1-4-27(41)35-23-14-21(16-33-18-23)22-15-25-29(38-39-30(25)34-17-22)31-36-26-9-7-8-24(28(26)37-31)19-10-12-20(13-11-19)32(42)40(5-2)6-3/h7-13,15-20H,5-6,14H2,1-4H3,(H,37,43)(H,38,39)(H,36,40,41);7-19H,5-6H2,1-4H3,(H,36,42)(H,37,38)(H,35,39,40);7-16,18-19H,4-6,17H2,1-3H3,(H,36,37)(H,35,38,39);7-18H,4-6H2,1-3H3,(H,35,41)(H,36,37)(H,34,38,39).
What are the key properties of N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide?
N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide has a molecular weight of 2275.68 g/mol, XLogP of 25.30, 34 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[6-(2-oxobutyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide;N,N-diethyl-4-[2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide is sourced from PubChem (CID 158801602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).