2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid

C57H62N26O8 — CID 157127238

IUPAC2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cnc21.CCn1nc(C)cc1C(=O)O.NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)cnc21
InChIInChI=1S/C32H34N14O4.C18H18N10O2.C7H10N2O2/c1-5-45-23(11-17(3)41-45)29(49)39-31-37-21-13-19(25(33)47)15-35-27(21)43(31)9-7-8-10-44-28-22(14-20(16-36-28)26(34)48)38-32(44)40-30(50)24-12-18(4)42-46(24)6-2;19-13(29)9-5-11-15(23-7-9)27(17(21)25-11)3-1-2-4-28-16-12(26-18(28)22)6-10(8-24-16)14(20)30;1-3-9-6(7(10)11)4-5(2)8-9/h7-8,11-16H,5-6,9-10H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,39,49)(H,38,40,50);1-2,5-8H,3-4H2,(H2,19,29)(H2,20,30)(H2,21,25)(H2,22,26);4H,3H2,1-2H3,(H,10,11)/b8-7+;2-1+;
InChIKeyAIQMKAPZQNZGLI-NFECRFGRSA-N
MW1239.30 g/mol
LogP2.89
Rot. Bonds20

About 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid

2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid (PubChem CID 157127238) has the molecular formula C57H62N26O8 and a molecular weight of 1239.30 g/mol. Its IUPAC name is 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
PubChem CID157127238
Molecular FormulaC57H62N26O8
Molecular Weight1239.30 g/mol
Exact Mass1238.52
IUPAC Name2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid
SMILESCCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cnc21.CCn1nc(C)cc1C(=O)O.NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)cnc21
InChIInChI=1S/C32H34N14O4.C18H18N10O2.C7H10N2O2/c1-5-45-23(11-17(3)41-45)29(49)39-31-37-21-13-19(25(33)47)15-35-27(21)43(31)9-7-8-10-44-28-22(14-20(16-36-28)26(34)48)38-32(44)40-30(50)24-12-18(4)42-46(24)6-2;19-13(29)9-5-11-15(23-7-9)27(17(21)25-11)3-1-2-4-28-16-12(26-18(28)22)6-10(8-24-16)14(20)30;1-3-9-6(7(10)11)4-5(2)8-9/h7-8,11-16H,5-6,9-10H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,39,49)(H,38,40,50);1-2,5-8H,3-4H2,(H2,19,29)(H2,20,30)(H2,21,25)(H2,22,26);4H,3H2,1-2H3,(H,10,11)/b8-7+;2-1+;
InChIKeyAIQMKAPZQNZGLI-NFECRFGRSA-N
XLogP2.89
TPSA496.20 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001239.30
LogP ≤ 52.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid;6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide;pyridin-3-amine
CID 160760632
CID 162058806
CID 162058806
[3-Ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-2-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl 1-methylimidazole-4-carboxylate;[3-ethyl-2,6-dioxo-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]purin-7-yl]methyl pyridine-4-carboxylate
CID 162110509
6-[(5R)-2-[8-methyl-6-[3-methyl-3-[4-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-2-carboxylic acid
CID 177994486
6-[(5R)-2-[6-[3-[3-(difluoromethyl)pyrazol-1-yl]-3-methylpyrrolidin-1-yl]-8-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-7-yl]pyridine-2-carboxylic acid
CID 177995357
1-[6-[3-Carboxy-4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyrazol-1-yl]hexyl]-4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyrazole-3-carboxylic acid
CID 167013394
1-[3-[3-Carboxy-4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyrazol-1-yl]propyl]-4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]pyrazole-3-carboxylic acid
CID 167013397
8-[(1-Phenylpyrazol-4-yl)methylcarbamoyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 59588533
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(2-ethoxyethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 68422909
1-Methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxylic acid;2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 89464526
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide;1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
CID 89464826
2-[6-(Diethylamino)-3-pyridinyl]-3-[(1-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 137550206

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid (CID 157127238) is 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid is CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cnc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cnc21.CCn1nc(C)cc1C(=O)O.NC(=O)c1cnc2c(c1)nc(N)n2C/C=C/Cn1c(N)nc2cc(C(N)=O)cnc21.
What is the InChIKey of 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?
The InChIKey is AIQMKAPZQNZGLI-NFECRFGRSA-N. The full InChI is InChI=1S/C32H34N14O4.C18H18N10O2.C7H10N2O2/c1-5-45-23(11-17(3)41-45)29(49)39-31-37-21-13-19(25(33)47)15-35-27(21)43(31)9-7-8-10-44-28-22(14-20(16-36-28)26(34)48)38-32(44)40-30(50)24-12-18(4)42-46(24)6-2;19-13(29)9-5-11-15(23-7-9)27(17(21)25-11)3-1-2-4-28-16-12(26-18(28)22)6-10(8-24-16)14(20)30;1-3-9-6(7(10)11)4-5(2)8-9/h7-8,11-16H,5-6,9-10H2,1-4H3,(H2,33,47)(H2,34,48)(H,37,39,49)(H,38,40,50);1-2,5-8H,3-4H2,(H2,19,29)(H2,20,30)(H2,21,25)(H2,22,26);4H,3H2,1-2H3,(H,10,11)/b8-7+;2-1+;.
What are the key properties of 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid?
2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid has a molecular weight of 1239.30 g/mol, XLogP of 2.89, 20 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(E)-4-(2-amino-6-carbamoylimidazo[4,5-b]pyridin-3-yl)but-2-enyl]imidazo[4,5-b]pyridine-6-carboxamide;3-[(E)-4-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxamide;2-ethyl-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 157127238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).