1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline

C66H55F2N19O5 — CID 158762423

IUPAC1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(C)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)NC1CC1
InChIInChI=1S/C24H21N5O2.C21H15F2N7O.C21H19N7O2/c1-15-10-16(2)12-17(11-15)20-6-7-23-26-27-24(29(23)28-20)14-31-22-8-9-25-21-13-18(30-3)4-5-19(21)22;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12;29-21(23-15-6-7-15)24-18-12-16(10-11-22-18)30-13-20-26-25-19-9-8-17(27-28(19)20)14-4-2-1-3-5-14/h4-13H,14H2,1-3H3;2-10H,11H2,1H3,(H,24,25);1-5,8-12,15H,6-7,13H2,(H2,22,23,24,29)
InChIKeyIOVNOCAKNZTVOB-UHFFFAOYSA-N
MW1232.29 g/mol
LogP11.23
Rot. Bonds16

About 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline

1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline (PubChem CID 158762423) has the molecular formula C66H55F2N19O5 and a molecular weight of 1232.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
PubChem CID158762423
Molecular FormulaC66H55F2N19O5
Molecular Weight1232.29 g/mol
Exact Mass1231.46
IUPAC Name1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(C)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)NC1CC1
InChIInChI=1S/C24H21N5O2.C21H15F2N7O.C21H19N7O2/c1-15-10-16(2)12-17(11-15)20-6-7-23-26-27-24(29(23)28-20)14-31-22-8-9-25-21-13-18(30-3)4-5-19(21)22;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12;29-21(23-15-6-7-15)24-18-12-16(10-11-22-18)30-13-20-26-25-19-9-8-17(27-28(19)20)14-4-2-1-3-5-14/h4-13H,14H2,1-3H3;2-10H,11H2,1H3,(H,24,25);1-5,8-12,15H,6-7,13H2,(H2,22,23,24,29)
InChIKeyIOVNOCAKNZTVOB-UHFFFAOYSA-N
XLogP11.23
TPSA270.88 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001232.29
LogP ≤ 511.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The IUPAC name of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline (CID 158762423) is 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The canonical SMILES for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline is COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(C)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
The InChIKey is IOVNOCAKNZTVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2.C21H15F2N7O.C21H19N7O2/c1-15-10-16(2)12-17(11-15)20-6-7-23-26-27-24(29(23)28-20)14-31-22-8-9-25-21-13-18(30-3)4-5-19(21)22;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12;29-21(23-15-6-7-15)24-18-12-16(10-11-22-18)30-13-20-26-25-19-9-8-17(27-28(19)20)14-4-2-1-3-5-14/h4-13H,14H2,1-3H3;2-10H,11H2,1H3,(H,24,25);1-5,8-12,15H,6-7,13H2,(H2,22,23,24,29).
What are the key properties of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline?
1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline has a molecular weight of 1232.29 g/mol, XLogP of 11.23, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline is sourced from PubChem (CID 158762423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).