4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

C55H59B2IN14O10 — CID 160821277

IUPAC4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)NC5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.NC1CC1.O=C(NC1CC1)c1cc(B(O)O)ccn1.O=C(O)c1cc(B(O)O)ccn1
InChIInChI=1S/C23H22N6O2.C14H13IN4O.C9H11BN2O3.C6H6BNO4.C3H7N/c1-12-13(2)28-29-21(12)20(30)8-14-7-16-10-18(27-22(16)25-11-14)15-5-6-24-19(9-15)23(31)26-17-3-4-17;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;13-9(12-7-1-2-7)8-5-6(10(14)15)3-4-11-8;9-6(10)5-3-4(7(11)12)1-2-8-5;4-3-1-2-3/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);3-5,7,14-15H,1-2H2,(H,12,13);1-3,11-12H,(H,9,10);3H,1-2,4H2
InChIKeySFOTZBIIQFHNCH-UHFFFAOYSA-N
MW1224.69 g/mol
LogP3.44
Rot. Bonds14

About 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (PubChem CID 160821277) has the molecular formula C55H59B2IN14O10 and a molecular weight of 1224.69 g/mol. Its IUPAC name is 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
PubChem CID160821277
Molecular FormulaC55H59B2IN14O10
Molecular Weight1224.69 g/mol
Exact Mass1224.38
IUPAC Name4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)NC5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.NC1CC1.O=C(NC1CC1)c1cc(B(O)O)ccn1.O=C(O)c1cc(B(O)O)ccn1
InChIInChI=1S/C23H22N6O2.C14H13IN4O.C9H11BN2O3.C6H6BNO4.C3H7N/c1-12-13(2)28-29-21(12)20(30)8-14-7-16-10-18(27-22(16)25-11-14)15-5-6-24-19(9-15)23(31)26-17-3-4-17;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;13-9(12-7-1-2-7)8-5-6(10(14)15)3-4-11-8;9-6(10)5-3-4(7(11)12)1-2-8-5;4-3-1-2-3/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);3-5,7,14-15H,1-2H2,(H,12,13);1-3,11-12H,(H,9,10);3H,1-2,4H2
InChIKeySFOTZBIIQFHNCH-UHFFFAOYSA-N
XLogP3.44
TPSA389.97 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001224.69
LogP ≤ 53.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone 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

CID 158575570
CID 158575570
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-ethyl-2-pyridinyl)methanone;tert-butyl N-[(3S)-1-[6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate;4-ethylpyridine-2-carboxylic acid;methane
CID 158629389
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-ethyl-2-pyridinyl)methanone;tert-butyl N-[(3S)-1-[6-methyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate;4-ethylpyridine-2-carboxylic acid
CID 158842118
[4-(5-amino-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-cyclopropylmethanone;tert-butyl 2-[2-[1-(cyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]acetate;tert-butyl 2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)acetate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;cyclopropanecarbonyl chloride;2-[2-[1-(cyclopropanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;cyclopropyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone;4,5-dimethyl-1H-pyrazole-3-carboxylic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
CID 158940842
4,5-dimethyl-1H-pyrazole-3-carboxylic acid;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine
CID 158963582
CID 159074785
CID 159074785
N-[2-(dimethylamino)ethyl]-6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxamide;N',N'-dimethylethane-1,2-diamine;6-(1,3-dioxopropan-2-yl)pyridine-2-carboxylic acid;4-phenyl-1H-pyrazol-5-amine;6-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)pyridine-2-carboxylic acid
CID 159452733
2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)-1-(5-methyl-1H-pyrazol-3-yl)ethanone;5-methyl-1H-pyrazole-3-carboxylic acid;N-(5-methyl-1H-pyrazol-3-yl)-2-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;morpholine
CID 159673871
4,5-dimethyl-1H-pyrazole-3-carboxylic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-[1-(2-morpholin-4-ylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;2-iodo-1H-pyrrolo[2,3-b]pyridin-5-amine;2-morpholin-4-ylacetic acid;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine
CID 160254883
2-cyanoacetic acid;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;3-[4-[4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropanenitrile;3-oxo-3-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazin-1-yl]propanenitrile;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine
CID 160284572
6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-N-methylpyridine-2-carboxamide;6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylic acid;methane;sulfane
CID 160386032
CID 160399217
CID 160399217

Frequently Asked Questions

What is the IUPAC name of 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The IUPAC name of 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (CID 160821277) is 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The canonical SMILES for 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C(=O)NC5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.NC1CC1.O=C(NC1CC1)c1cc(B(O)O)ccn1.O=C(O)c1cc(B(O)O)ccn1.
What is the InChIKey of 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The InChIKey is SFOTZBIIQFHNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.C14H13IN4O.C9H11BN2O3.C6H6BNO4.C3H7N/c1-12-13(2)28-29-21(12)20(30)8-14-7-16-10-18(27-22(16)25-11-14)15-5-6-24-19(9-15)23(31)26-17-3-4-17;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;13-9(12-7-1-2-7)8-5-6(10(14)15)3-4-11-8;9-6(10)5-3-4(7(11)12)1-2-8-5;4-3-1-2-3/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,25,27)(H,26,31)(H,28,29);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);3-5,7,14-15H,1-2H2,(H,12,13);1-3,11-12H,(H,9,10);3H,1-2,4H2.
What are the key properties of 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone has a molecular weight of 1224.69 g/mol, XLogP of 3.44, 14 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-boronopyridine-2-carboxylic acid;cyclopropanamine;[2-(cyclopropylcarbamoyl)-4-pyridinyl]boronic acid;N-cyclopropyl-4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 160821277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).