tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

C57H71BClN13O6 — CID 160845725

IUPACtert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
SMILESCC1(C)OB(C2=CCN=C2)OC1(C)C.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1-c1cn[nH]c1.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C25H29N7O2.C22H26ClN5O2.C10H16BNO2/c1-16-10-23-26-13-21(32(23)15-19(16)17-11-27-28-12-17)20-6-5-7-22(30-20)29-18-8-9-31(14-18)24(33)34-25(2,3)4;1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7,10-13,15,18H,8-9,14H2,1-4H3,(H,27,28)(H,29,30);5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);5,7H,6H2,1-4H3
InChIKeySIPQUKICCRTTFA-UHFFFAOYSA-N
MW1080.54 g/mol
LogP10.92
Rot. Bonds8

About tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole

tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (PubChem CID 160845725) has the molecular formula C57H71BClN13O6 and a molecular weight of 1080.54 g/mol. Its IUPAC name is tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Nametert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
PubChem CID160845725
Molecular FormulaC57H71BClN13O6
Molecular Weight1080.54 g/mol
Exact Mass1079.54
IUPAC Nametert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
SMILESCC1(C)OB(C2=CCN=C2)OC1(C)C.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1-c1cn[nH]c1.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl
InChIInChI=1S/C25H29N7O2.C22H26ClN5O2.C10H16BNO2/c1-16-10-23-26-13-21(32(23)15-19(16)17-11-27-28-12-17)20-6-5-7-22(30-20)29-18-8-9-31(14-18)24(33)34-25(2,3)4;1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7,10-13,15,18H,8-9,14H2,1-4H3,(H,27,28)(H,29,30);5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);5,7H,6H2,1-4H3
InChIKeySIPQUKICCRTTFA-UHFFFAOYSA-N
XLogP10.92
TPSA203.02 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.54
LogP ≤ 510.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole with MolForge

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Related Compounds

1-[4-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-6-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 139344833
7-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;2-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-c][1,3]oxazin-6-one;2-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3,4,7,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one;7-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one;6-chloro-3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157318378
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;tert-butyl 2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate;tert-butyl 6-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxylate;4-chloro-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine;deuterioethane;2,2,2-trifluoroacetaldehyde
CID 158914021
tert-butyl N-[(3R)-1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate;deuterioethane;4-(1,3-dimethylpyrazol-4-yl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine;1,3-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2,2,2-trifluoroacetaldehyde
CID 159061376
6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine;3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159313045
Tert-butyl 4-[4-[1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[3-[[6-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]pyrazolo[4,5-b]pyridin-1-yl]methyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 160026379
bis(6-chloro-3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyridine);bis(3-[2-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine);3-[4-[(2S,3R,5S)-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161133495
tert-butyl 2-carbamoyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazine-1-carboxylate;6-chloro-3-[6-methyl-2-[(3R,5S)-3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3S,5S)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;6-chloro-3-[6-methyl-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-a]pyridine;5-fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 162021896
tert-butyl N-[1-[5-chloro-3-(3-fluoropyrazolo[1,5-a]pyridin-6-yl)-1-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]pyrrolo[2,3-b]pyridin-4-yl]piperidin-4-yl]carbamate
CID 178053419
tert-butyl N-[4-[[2-(4-chlorophenyl)-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]cyclohexyl]carbamate
CID 57773850
tert-butyl N-[(tert-butoxy)carbonyl]-N-[5-({[6-chloro-2-({2-methylimidazo[1,2-a]pyridin-6-yl}methyl)-2H-pyrazolo[4,3-c]pyridin-4-yl]amino}methyl)-4,6-dimethylpyridin-2-yl]carbamate
CID 118482399
Tert-butyl 4-[4-[1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]pyrazolo[4,5-b]pyridin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 121339220

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The IUPAC name of tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole (CID 160845725) is tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole.
What is the SMILES notation for tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The canonical SMILES for tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is CC1(C)OB(C2=CCN=C2)OC1(C)C.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1-c1cn[nH]c1.Cc1cc2ncc(-c3cccc(NC4CCN(C(=O)OC(C)(C)C)C4)n3)n2cc1Cl.
What is the InChIKey of tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
The InChIKey is SIPQUKICCRTTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C22H26ClN5O2.C10H16BNO2/c1-16-10-23-26-13-21(32(23)15-19(16)17-11-27-28-12-17)20-6-5-7-22(30-20)29-18-8-9-31(14-18)24(33)34-25(2,3)4;1-14-10-20-24-11-18(28(20)13-16(14)23)17-6-5-7-19(26-17)25-15-8-9-27(12-15)21(29)30-22(2,3)4;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8/h5-7,10-13,15,18H,8-9,14H2,1-4H3,(H,27,28)(H,29,30);5-7,10-11,13,15H,8-9,12H2,1-4H3,(H,25,26);5,7H,6H2,1-4H3.
What are the key properties of tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole?
tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole has a molecular weight of 1080.54 g/mol, XLogP of 10.92, 8 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-(6-chloro-7-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate;tert-butyl 3-[[6-[7-methyl-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]amino]pyrrolidine-1-carboxylate;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole is sourced from PubChem (CID 160845725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).