N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

C129H121N39O13 — CID 157186762

IUPACN-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12
InChIInChI=1S/C27H26N8O3.C27H25N7O3.C26H24N8O3.C25H24N8O2.C24H22N8O2/c1-15(2)26(36)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-6-8-38-9-7-35;1-2-19(35)13-18-7-6-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-5-3-4-20(23(22)31-26)27(36)34-8-10-37-11-9-34;1-2-21(35)29-17-10-15(12-27-14-17)16-11-19-23(32-33-24(19)28-13-16)25-30-20-5-3-4-18(22(20)31-25)26(36)34-6-8-37-9-7-34;1-13(2)7-20(34)29-16-8-14(10-27-12-16)15-9-18-22(32-33-23(18)28-11-15)24-30-19-6-4-5-17(21(19)31-24)25(35)26-3;1-12(2)23(33)28-15-7-13(9-26-11-15)14-8-17-20(31-32-21(17)27-10-14)22-29-18-6-4-5-16(19(18)30-22)24(34)25-3/h3-5,10-15H,6-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);3-7,12,14-15H,2,8-11,13H2,1H3,(H,30,31)(H,29,32,33);3-5,10-14H,2,6-9H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-6,8-13H,7H2,1-3H3,(H,26,35)(H,29,34)(H,30,31)(H,28,32,33);4-12H,1-3H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyAPFFACCVHQOYJL-UHFFFAOYSA-N
MW2425.65 g/mol
LogP18.00
Rot. Bonds27

About N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide

N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (PubChem CID 157186762) has the molecular formula C129H121N39O13 and a molecular weight of 2425.65 g/mol. Its IUPAC name is N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
PubChem CID157186762
Molecular FormulaC129H121N39O13
Molecular Weight2425.65 g/mol
Exact Mass2424.00
IUPAC NameN-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12
InChIInChI=1S/C27H26N8O3.C27H25N7O3.C26H24N8O3.C25H24N8O2.C24H22N8O2/c1-15(2)26(36)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-6-8-38-9-7-35;1-2-19(35)13-18-7-6-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-5-3-4-20(23(22)31-26)27(36)34-8-10-37-11-9-34;1-2-21(35)29-17-10-15(12-27-14-17)16-11-19-23(32-33-24(19)28-13-16)25-30-20-5-3-4-18(22(20)31-25)26(36)34-6-8-37-9-7-34;1-13(2)7-20(34)29-16-8-14(10-27-12-16)15-9-18-22(32-33-23(18)28-11-15)24-30-19-6-4-5-17(21(19)31-24)25(35)26-3;1-12(2)23(33)28-15-7-13(9-26-11-15)14-8-17-20(31-32-21(17)27-10-14)22-29-18-6-4-5-16(19(18)30-22)24(34)25-3/h3-5,10-15H,6-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);3-7,12,14-15H,2,8-11,13H2,1H3,(H,30,31)(H,29,32,33);3-5,10-14H,2,6-9H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-6,8-13H,7H2,1-3H3,(H,26,35)(H,29,34)(H,30,31)(H,28,32,33);4-12H,1-3H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32)
InChIKeyAPFFACCVHQOYJL-UHFFFAOYSA-N
XLogP18.00
TPSA695.99 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds27
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002425.65
LogP ≤ 518.00
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide with MolForge

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Related Compounds

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CID 170673178
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CID 170673283
1-[4-fluoro-7-[5-[4-(2-morpholinoethyl)piperazine-1-carbonyl]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
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3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]anilino]ethyl-methylamino]pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136631168
N-[5-[3-[7-[3-[2-[[5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]pyrazolo[5,4-b]pyridin-1-yl]-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136631207
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-[7-(4-fluorophenyl)-2-[5-[6-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]-2-methylpropanamide
CID 137156192
N-[5-[3-[4-(4-fluorophenyl)-1H-benzimidazol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-benzimidazol-4-yl]phenyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 144667648
N-[5-[4-fluoro-7-[1-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]piperidin-3-yl]-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145033350

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide (CID 157186762) is N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CCC(=O)Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)cn1.CCC(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(C(=O)N6CCOCC6)cccc5[nH]4)c3c2)c1.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C(C)C)c5)cc34)nc12.CNC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)CC(C)C)c5)cc34)nc12.
What is the InChIKey of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
The InChIKey is APFFACCVHQOYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N8O3.C27H25N7O3.C26H24N8O3.C25H24N8O2.C24H22N8O2/c1-15(2)26(36)30-18-10-16(12-28-14-18)17-11-20-23(33-34-24(20)29-13-17)25-31-21-5-3-4-19(22(21)32-25)27(37)35-6-8-38-9-7-35;1-2-19(35)13-18-7-6-16(14-28-18)17-12-21-24(32-33-25(21)29-15-17)26-30-22-5-3-4-20(23(22)31-26)27(36)34-8-10-37-11-9-34;1-2-21(35)29-17-10-15(12-27-14-17)16-11-19-23(32-33-24(19)28-13-16)25-30-20-5-3-4-18(22(20)31-25)26(36)34-6-8-37-9-7-34;1-13(2)7-20(34)29-16-8-14(10-27-12-16)15-9-18-22(32-33-23(18)28-11-15)24-30-19-6-4-5-17(21(19)31-24)25(35)26-3;1-12(2)23(33)28-15-7-13(9-26-11-15)14-8-17-20(31-32-21(17)27-10-14)22-29-18-6-4-5-16(19(18)30-22)24(34)25-3/h3-5,10-15H,6-9H2,1-2H3,(H,30,36)(H,31,32)(H,29,33,34);3-7,12,14-15H,2,8-11,13H2,1H3,(H,30,31)(H,29,32,33);3-5,10-14H,2,6-9H2,1H3,(H,29,35)(H,30,31)(H,28,32,33);4-6,8-13H,7H2,1-3H3,(H,26,35)(H,29,34)(H,30,31)(H,28,32,33);4-12H,1-3H3,(H,25,34)(H,28,33)(H,29,30)(H,27,31,32).
What are the key properties of N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide?
N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide has a molecular weight of 2425.65 g/mol, XLogP of 18.00, 27 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;N-methyl-2-[5-[5-(2-methylpropanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide;2-methyl-N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;1-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 157186762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).