6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate

C56H61Cl3N14O8 — CID 161119842

IUPAC6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1.NC1CC1
InChIInChI=1S/C19H20ClN5O2.C18H19ClN4O3.C16H15ClN4O3.C3H7N/c1-24(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;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20(9-10-3-5-11(24-2)6-4-10)12-7-14(17)19-21-13(16(22)23)8-18-15(12)21;4-3-1-2-3/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);5-10H,4,11H2,1-3H3;3-8H,9H2,1-2H3,(H,22,23);3H,1-2,4H2
InChIKeyUKUNWXYYGQRCOW-UHFFFAOYSA-N
MW1164.55 g/mol
LogP8.96
Rot. Bonds17

About 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate

6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 161119842) has the molecular formula C56H61Cl3N14O8 and a molecular weight of 1164.55 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID161119842
Molecular FormulaC56H61Cl3N14O8
Molecular Weight1164.55 g/mol
Exact Mass1162.39
IUPAC Name6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1.NC1CC1
InChIInChI=1S/C19H20ClN5O2.C18H19ClN4O3.C16H15ClN4O3.C3H7N/c1-24(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;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20(9-10-3-5-11(24-2)6-4-10)12-7-14(17)19-21-13(16(22)23)8-18-15(12)21;4-3-1-2-3/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);5-10H,4,11H2,1-3H3;3-8H,9H2,1-2H3,(H,22,23);3H,1-2,4H2
InChIKeyUKUNWXYYGQRCOW-UHFFFAOYSA-N
XLogP8.96
TPSA246.70 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001164.55
LogP ≤ 58.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate with MolForge

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Related Compounds

ethyl 2-[[1-(2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]acetyl)piperidin-4-yl]amino]-acetate
CID 118522348
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3S)-3-methylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522367
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-hydroxyphenyl)ethylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522371
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-chlorophenoxy)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522391
2-Morpholin-4-ylethyl 1-[2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetyl]-4-methylpiperidine-4-carboxylate
CID 118522542
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[(3R)-3-methylmorpholin-4-yl]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522570
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-hydroxyphenyl)ethyl-methylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522886
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522622
N-[1-[2-[4-[butyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]-2-oxoethyl]-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522657
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522881
6-Chloro-8-(cyclopropyl(4-methoxybenzyl)amino)-N-(2-fluoropyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624328
6-chloro-N-(2-fluoropyridin-4-yl)-8-((4-methoxybenzyl)(pyridin-2-yl)amino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624627

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;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate (CID 161119842) is 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2c(N(C)Cc3ccc(OC)cc3)cc(Cl)nn12.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NC4CC4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)O)cnc23)cc1.NC1CC1.
What is the InChIKey of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is UKUNWXYYGQRCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2.C18H19ClN4O3.C16H15ClN4O3.C3H7N/c1-24(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;1-4-26-18(24)15-10-20-17-14(9-16(19)21-23(15)17)22(2)11-12-5-7-13(25-3)8-6-12;1-20(9-10-3-5-11(24-2)6-4-10)12-7-14(17)19-21-13(16(22)23)8-18-15(12)21;4-3-1-2-3/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,22,26);5-10H,4,11H2,1-3H3;3-8H,9H2,1-2H3,(H,22,23);3H,1-2,4H2.
What are the key properties of 6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate?
6-chloro-N-cyclopropyl-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 1164.55 g/mol, XLogP of 8.96, 17 rotatable bonds, 3 hydrogen bond donors, and 20 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;6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid;cyclopropanamine;ethyl 6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 161119842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).