N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

C134H105N59O8S — CID 159675968

IUPACN-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILES[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N(C)C)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12
InChIInChI=1S/C25H22N10O.C24H21N11O.C23H18N10O2.C22H15N9O.C21H16N10O.C19H13N9O2S/c1-26-19-12-28-13-20-22(19)32-24(31-20)21-18-8-16(10-29-23(18)34-33-21)15-7-17(11-27-9-15)30-25(36)14-3-5-35(2)6-4-14;1-25-18-12-27-13-19-21(18)31-23(30-19)20-17-8-15(10-28-22(17)33-32-20)14-7-16(11-26-9-14)29-24(36)35-5-3-34(2)4-6-35;1-24-17-11-26-12-18-20(17)30-22(29-18)19-16-7-14(9-27-21(16)32-31-19)13-6-15(10-25-8-13)28-23(34)33-2-4-35-5-3-33;1-23-16-9-25-10-17-19(16)29-21(28-17)18-15-5-13(7-26-20(15)31-30-18)12-4-14(8-24-6-12)27-22(32)11-2-3-11;1-22-15-9-24-10-16-18(15)28-20(27-16)17-14-5-12(7-25-19(14)30-29-17)11-4-13(8-23-6-11)26-21(32)31(2)3;1-20-14-8-22-9-15-17(14)25-19(24-15)16-13-4-11(6-23-18(13)27-26-16)10-3-12(7-21-5-10)28-31(2,29)30/h7-14H,3-6H2,2H3,(H,30,36)(H,31,32)(H,29,33,34);7-13H,3-6H2,2H3,(H,29,36)(H,30,31)(H,28,32,33);6-12H,2-5H2,(H,28,34)(H,29,30)(H,27,31,32);4-11H,2-3H2,(H,27,32)(H,28,29)(H,26,30,31);4-10H,2-3H3,(H,26,32)(H,27,28)(H,25,29,30);3-9,28H,2H3,(H,24,25)(H,23,26,27)
InChIKeyMUPGETLHPKXAFX-UHFFFAOYSA-N
MW2701.79 g/mol
LogP20.79
Rot. Bonds21

About N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide

N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (PubChem CID 159675968) has the molecular formula C134H105N59O8S and a molecular weight of 2701.79 g/mol. Its IUPAC name is N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
PubChem CID159675968
Molecular FormulaC134H105N59O8S
Molecular Weight2701.79 g/mol
Exact Mass2699.93
IUPAC NameN-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide
SMILES[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N(C)C)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12
InChIInChI=1S/C25H22N10O.C24H21N11O.C23H18N10O2.C22H15N9O.C21H16N10O.C19H13N9O2S/c1-26-19-12-28-13-20-22(19)32-24(31-20)21-18-8-16(10-29-23(18)34-33-21)15-7-17(11-27-9-15)30-25(36)14-3-5-35(2)6-4-14;1-25-18-12-27-13-19-21(18)31-23(30-19)20-17-8-15(10-28-22(17)33-32-20)14-7-16(11-26-9-14)29-24(36)35-5-3-34(2)4-6-35;1-24-17-11-26-12-18-20(17)30-22(29-18)19-16-7-14(9-27-21(16)32-31-19)13-6-15(10-25-8-13)28-23(34)33-2-4-35-5-3-33;1-23-16-9-25-10-17-19(16)29-21(28-17)18-15-5-13(7-26-20(15)31-30-18)12-4-14(8-24-6-12)27-22(32)11-2-3-11;1-22-15-9-24-10-16-18(15)28-20(27-16)17-14-5-12(7-25-19(14)30-29-17)11-4-13(8-23-6-11)26-21(32)31(2)3;1-20-14-8-22-9-15-17(14)25-19(24-15)16-13-4-11(6-23-18(13)27-26-16)10-3-12(7-21-5-10)28-31(2,29)30/h7-14H,3-6H2,2H3,(H,30,36)(H,31,32)(H,29,33,34);7-13H,3-6H2,2H3,(H,29,36)(H,30,31)(H,28,32,33);6-12H,2-5H2,(H,28,34)(H,29,30)(H,27,31,32);4-11H,2-3H2,(H,27,32)(H,28,29)(H,26,30,31);4-10H,2-3H3,(H,26,32)(H,27,28)(H,25,29,30);3-9,28H,2H3,(H,24,25)(H,23,26,27)
InChIKeyMUPGETLHPKXAFX-UHFFFAOYSA-N
XLogP20.79
TPSA819.44 Ų
H-Bond Donors18
H-Bond Acceptors40
Rotatable Bonds21
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002701.79
LogP ≤ 520.79
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide (CID 159675968) is N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is [C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)C6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N(C)C)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCN(C)CC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NC(=O)N6CCOCC6)c5)cc34)nc12.[C-]#[N+]c1cncc2[nH]c(-c3[nH]nc4ncc(-c5cncc(NS(C)(=O)=O)c5)cc34)nc12.
What is the InChIKey of N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
The InChIKey is MUPGETLHPKXAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N10O.C24H21N11O.C23H18N10O2.C22H15N9O.C21H16N10O.C19H13N9O2S/c1-26-19-12-28-13-20-22(19)32-24(31-20)21-18-8-16(10-29-23(18)34-33-21)15-7-17(11-27-9-15)30-25(36)14-3-5-35(2)6-4-14;1-25-18-12-27-13-19-21(18)31-23(30-19)20-17-8-15(10-28-22(17)33-32-20)14-7-16(11-26-9-14)29-24(36)35-5-3-34(2)4-6-35;1-24-17-11-26-12-18-20(17)30-22(29-18)19-16-7-14(9-27-21(16)32-31-19)13-6-15(10-25-8-13)28-23(34)33-2-4-35-5-3-33;1-23-16-9-25-10-17-19(16)29-21(28-17)18-15-5-13(7-26-20(15)31-30-18)12-4-14(8-24-6-12)27-22(32)11-2-3-11;1-22-15-9-24-10-16-18(15)28-20(27-16)17-14-5-12(7-25-19(14)30-29-17)11-4-13(8-23-6-11)26-21(32)31(2)3;1-20-14-8-22-9-15-17(14)25-19(24-15)16-13-4-11(6-23-18(13)27-26-16)10-3-12(7-21-5-10)28-31(2,29)30/h7-14H,3-6H2,2H3,(H,30,36)(H,31,32)(H,29,33,34);7-13H,3-6H2,2H3,(H,29,36)(H,30,31)(H,28,32,33);6-12H,2-5H2,(H,28,34)(H,29,30)(H,27,31,32);4-11H,2-3H2,(H,27,32)(H,28,29)(H,26,30,31);4-10H,2-3H3,(H,26,32)(H,27,28)(H,25,29,30);3-9,28H,2H3,(H,24,25)(H,23,26,27).
What are the key properties of N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide?
N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide has a molecular weight of 2701.79 g/mol, XLogP of 20.79, 21 rotatable bonds, 18 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;3-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide;N-[5-[3-(7-isocyano-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 159675968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).