6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate

C64H69ClN16O10 — CID 159432530

IUPAC6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(OC)cc2)cc1N.COC(=O)c1nn(Cc2ccc(OC)cc2)cc1Nc1cc(N(C)Cc2ccc(OC)cc2)c2ncc(C(=O)NC3CC3)n2n1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1
InChIInChI=1S/C32H34N8O5.C19H20ClN5O2.C13H15N3O3/c1-38(17-20-5-11-23(43-2)12-6-20)26-15-28(36-40-27(16-33-30(26)40)31(41)34-22-9-10-22)35-25-19-39(37-29(25)32(42)45-4)18-21-7-13-24(44-3)14-8-21;1-24(11-12-3-7-14(27-2)8-4-12)15-9-17(20)23-25-16(10-21-18(15)25)19(26)22-13-5-6-13;1-18-10-5-3-9(4-6-10)7-16-8-11(14)12(15-16)13(17)19-2/h5-8,11-16,19,22H,9-10,17-18H2,1-4H3,(H,34,41)(H,35,36);3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);3-6,8H,7,14H2,1-2H3
InChIKeyLRDYGFZARQGCMA-UHFFFAOYSA-N
MW1257.81 g/mol
LogP8.28
Rot. Bonds22

About 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate

6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate (PubChem CID 159432530) has the molecular formula C64H69ClN16O10 and a molecular weight of 1257.81 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
PubChem CID159432530
Molecular FormulaC64H69ClN16O10
Molecular Weight1257.81 g/mol
Exact Mass1256.51
IUPAC Name6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(Cc2ccc(OC)cc2)cc1N.COC(=O)c1nn(Cc2ccc(OC)cc2)cc1Nc1cc(N(C)Cc2ccc(OC)cc2)c2ncc(C(=O)NC3CC3)n2n1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1
InChIInChI=1S/C32H34N8O5.C19H20ClN5O2.C13H15N3O3/c1-38(17-20-5-11-23(43-2)12-6-20)26-15-28(36-40-27(16-33-30(26)40)31(41)34-22-9-10-22)35-25-19-39(37-29(25)32(42)45-4)18-21-7-13-24(44-3)14-8-21;1-24(11-12-3-7-14(27-2)8-4-12)15-9-17(20)23-25-16(10-21-18(15)25)19(26)22-13-5-6-13;1-18-10-5-3-9(4-6-10)7-16-8-11(14)12(15-16)13(17)19-2/h5-8,11-16,19,22H,9-10,17-18H2,1-4H3,(H,34,41)(H,35,36);3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);3-6,8H,7,14H2,1-2H3
InChIKeyLRDYGFZARQGCMA-UHFFFAOYSA-N
XLogP8.28
TPSA288.27 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.81
LogP ≤ 58.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Analyze 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-methoxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522509
ethyl 6-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 118155389
3-amino-5-(trifluoromethyl)benzonitrile;6-[3-cyano-5-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid;ethyl 6-chloro-8-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-[3-cyano-5-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6,8-dichloroimidazo[1,2-b]pyridazine-3-carboxylate;N-[(4-methoxyphenyl)methyl]cyclopropanamine
CID 157728120
6-chloro-N-(2,2-difluoro-3-hydroxypropyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3S)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-[(3R)-oxolan-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 158240427
8-chloro-3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-8-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-amine;3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxamide;N-[3-(1,1-difluoroethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-7-yl]acetamide
CID 161126038
methyl 2-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-4-carboxylate
CID 168243692
methyl 6-[3-[[3-[[(1R,2S)-2-fluorocyclopropyl]carbamoyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-2-oxo-1-pyridinyl]pyridine-3-carboxylate
CID 168243867
N-[3-(5-chloro-2-methoxy-3-pyridinyl)-1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49858004
N-[3-(5-chloro-2-methoxyphenyl)-1-[[5-oxo-1-[(5-oxopyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49858203
6-Chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(pyrimidin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624448
6-chloro-8-((4-methoxybenzyl)(phenyl)amino)-N-(2-methylpyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624628
N-(2-chloropyridin-4-yl)-8-(cyclopropyl(4-methoxybenzyl)amino)-6-(tetrahydro-2H-pyran-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624640

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate?
The IUPAC name of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate (CID 159432530) is 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate is COC(=O)c1nn(Cc2ccc(OC)cc2)cc1N.COC(=O)c1nn(Cc2ccc(OC)cc2)cc1Nc1cc(N(C)Cc2ccc(OC)cc2)c2ncc(C(=O)NC3CC3)n2n1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.
What is the InChIKey of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate?
The InChIKey is LRDYGFZARQGCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N8O5.C19H20ClN5O2.C13H15N3O3/c1-38(17-20-5-11-23(43-2)12-6-20)26-15-28(36-40-27(16-33-30(26)40)31(41)34-22-9-10-22)35-25-19-39(37-29(25)32(42)45-4)18-21-7-13-24(44-3)14-8-21;1-24(11-12-3-7-14(27-2)8-4-12)15-9-17(20)23-25-16(10-21-18(15)25)19(26)22-13-5-6-13;1-18-10-5-3-9(4-6-10)7-16-8-11(14)12(15-16)13(17)19-2/h5-8,11-16,19,22H,9-10,17-18H2,1-4H3,(H,34,41)(H,35,36);3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);3-6,8H,7,14H2,1-2H3.
What are the key properties of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate?
6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate has a molecular weight of 1257.81 g/mol, XLogP of 8.28, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;methyl 4-amino-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate;methyl 4-[[3-(cyclopropylcarbamoyl)-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazin-6-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 159432530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).