N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide

C118H111Cl6N41O7 — CID 158403493

IUPACN-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cnn1.CC(C)(Nc1ncc(-c2cn3cc(C(=O)O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cc(C(N)=O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3ccc(C(N)=O)cc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cccc(C(N)=O)c3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cnnc(C(N)=O)c2)cn1)c1ncccc1Cl
InChIInChI=1S/C21H24ClN7O.3C20H18ClN7O.C20H17ClN6O2.C17H16ClN7O/c1-20(2,3)27-18(30)16-9-13(12-26-29-16)14-10-24-19(25-11-14)28-21(4,5)17-15(22)7-6-8-23-17;1-20(2,16-14(21)6-3-7-23-16)27-19-24-9-12(10-25-19)15-11-28-8-4-5-13(17(22)29)18(28)26-15;1-20(2,17-14(21)4-3-7-23-17)27-19-24-8-13(9-25-19)15-11-28-10-12(18(22)29)5-6-16(28)26-15;1-20(2,17-14(21)4-3-6-23-17)27-19-24-9-13(10-25-19)15-11-28-7-5-12(18(22)29)8-16(28)26-15;1-20(2,17-14(21)4-3-7-22-17)26-19-23-8-13(9-24-19)15-11-27-10-12(18(28)29)5-6-16(27)25-15;1-17(2,14-12(18)4-3-5-20-14)24-16-21-7-11(8-22-16)10-6-13(15(19)26)25-23-9-10/h6-12H,1-5H3,(H,27,30)(H,24,25,28);3*3-11H,1-2H3,(H2,22,29)(H,24,25,27);3-11H,1-2H3,(H,28,29)(H,23,24,26);3-9H,1-2H3,(H2,19,26)(H,21,22,24)
InChIKeyGYJVWQYUKOLVKP-UHFFFAOYSA-N
MW2428.18 g/mol
LogP20.03
Rot. Bonds30

About N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide

N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide (PubChem CID 158403493) has the molecular formula C118H111Cl6N41O7 and a molecular weight of 2428.18 g/mol. Its IUPAC name is N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide
PubChem CID158403493
Molecular FormulaC118H111Cl6N41O7
Molecular Weight2428.18 g/mol
Exact Mass2423.77
IUPAC NameN-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cnn1.CC(C)(Nc1ncc(-c2cn3cc(C(=O)O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cc(C(N)=O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3ccc(C(N)=O)cc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cccc(C(N)=O)c3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cnnc(C(N)=O)c2)cn1)c1ncccc1Cl
InChIInChI=1S/C21H24ClN7O.3C20H18ClN7O.C20H17ClN6O2.C17H16ClN7O/c1-20(2,3)27-18(30)16-9-13(12-26-29-16)14-10-24-19(25-11-14)28-21(4,5)17-15(22)7-6-8-23-17;1-20(2,16-14(21)6-3-7-23-16)27-19-24-9-12(10-25-19)15-11-28-8-4-5-13(17(22)29)18(28)26-15;1-20(2,17-14(21)4-3-7-23-17)27-19-24-8-13(9-25-19)15-11-28-10-12(18(22)29)5-6-16(28)26-15;1-20(2,17-14(21)4-3-6-23-17)27-19-24-9-13(10-25-19)15-11-28-7-5-12(18(22)29)8-16(28)26-15;1-20(2,17-14(21)4-3-7-22-17)26-19-23-8-13(9-24-19)15-11-27-10-12(18(28)29)5-6-16(27)25-15;1-17(2,14-12(18)4-3-5-20-14)24-16-21-7-11(8-22-16)10-6-13(15(19)26)25-23-9-10/h6-12H,1-5H3,(H,27,30)(H,24,25,28);3*3-11H,1-2H3,(H2,22,29)(H,24,25,27);3-11H,1-2H3,(H,28,29)(H,23,24,26);3-9H,1-2H3,(H2,19,26)(H,21,22,24)
InChIKeyGYJVWQYUKOLVKP-UHFFFAOYSA-N
XLogP20.03
TPSA663.72 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds30
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002428.18
LogP ≤ 520.03
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-[[4-[(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]pyrazole-3-carboxylic acid
CID 139487833
2-[[4-[(7-Chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 139487608
7-Amino-10-[2-[4-[1-[6-[7-amino-11-carbamoyl-12-chloro-10-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-3-pyridinyl]pyridin-1-ium-4-yl]piperazin-1-yl]ethyl]-12-chloro-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579849
7-Amino-10-[2-[4-[5-[6-[7-amino-11-carbamoyl-12-chloro-10-[2-[4-(5-fluoro-2-methyl-4-pyridinyl)piperazin-1-yl]ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-3-pyridinyl]pyrimidin-2-yl]piperazin-1-yl]ethyl]-12-chloro-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579860
Tert-butyl 2-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)acetate;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-amine;2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;1-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)-3-[5-(triazol-2-yl)-2-(trifluoromethyl)-4-pyridinyl]propan-2-one
CID 159288176
2-[[4-[(7-Chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 139487281
2-chloro-3-[2-[[(1S)-1-[2-chloro-6-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoylamino]pyrazolo[1,5-a]pyrimidin-7-yl]ethyl]-methylcarbamoyl]oxy-2-methylpropyl]-7-[(1S)-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 134220027
6-[2-[[4-[(7-Chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]cyclopropyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 139487936
3-[(E)-4-[6-carboxy-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-carboxylic acid
CID 146298772
7-Amino-4-[5-[4-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyridin-1-ium-1-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579798
7-Amino-4-[5-[2-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579904
N-[4-[(5-acetyl-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[(5-acetyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-(4-amino-2-pyridinyl)acetamide;1-(2,4-dichloropyrrolo[2,1-f][1,2,4]triazin-5-yl)ethanone;N-[4-[(5-ethyl-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-2-pyridinyl]acetamide;N-[4-[[5-(hydroxymethyl)-2-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-2-pyridinyl]acetamide;tributyl(pyridin-2-yl)stannane
CID 157122751

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide (CID 158403493) is N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide is CC(C)(C)NC(=O)c1cc(-c2cnc(NC(C)(C)c3ncccc3Cl)nc2)cnn1.CC(C)(Nc1ncc(-c2cn3cc(C(=O)O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cc(C(N)=O)ccc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3ccc(C(N)=O)cc3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cn3cccc(C(N)=O)c3n2)cn1)c1ncccc1Cl.CC(C)(Nc1ncc(-c2cnnc(C(N)=O)c2)cn1)c1ncccc1Cl.
What is the InChIKey of N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide?
The InChIKey is GYJVWQYUKOLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O.3C20H18ClN7O.C20H17ClN6O2.C17H16ClN7O/c1-20(2,3)27-18(30)16-9-13(12-26-29-16)14-10-24-19(25-11-14)28-21(4,5)17-15(22)7-6-8-23-17;1-20(2,16-14(21)6-3-7-23-16)27-19-24-9-12(10-25-19)15-11-28-8-4-5-13(17(22)29)18(28)26-15;1-20(2,17-14(21)4-3-7-23-17)27-19-24-8-13(9-25-19)15-11-28-10-12(18(22)29)5-6-16(28)26-15;1-20(2,17-14(21)4-3-6-23-17)27-19-24-9-13(10-25-19)15-11-28-7-5-12(18(22)29)8-16(28)26-15;1-20(2,17-14(21)4-3-7-22-17)26-19-23-8-13(9-24-19)15-11-27-10-12(18(28)29)5-6-16(27)25-15;1-17(2,14-12(18)4-3-5-20-14)24-16-21-7-11(8-22-16)10-6-13(15(19)26)25-23-9-10/h6-12H,1-5H3,(H,27,30)(H,24,25,28);3*3-11H,1-2H3,(H2,22,29)(H,24,25,27);3-11H,1-2H3,(H,28,29)(H,23,24,26);3-9H,1-2H3,(H2,19,26)(H,21,22,24).
What are the key properties of N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide?
N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide has a molecular weight of 2428.18 g/mol, XLogP of 20.03, 30 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-7-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-8-carboxamide;2-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]imidazo[1,2-a]pyridine-6-carboxylic acid;5-[2-[2-(3-chloro-2-pyridinyl)propan-2-ylamino]pyrimidin-5-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 158403493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).