4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

C172H194ClN50O11+ — CID 161431855

IUPAC4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[N+]1(O)CCN(C(CNc2c(C(N)=O)cnn3cccc23)c2ccccc2Cl)CC1.NC(=O)c1cnn2cccc2c1NC1CCC(O)CC1.NC(=O)c1cnn2cccc2c1NC1CCCC1.NC(=O)c1cnn2cccc2c1NC1CCCCC1.NC(=O)c1cnn2cccc2c1NCC1CCCO1.NC(=O)c1cnn2cccc2c1Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1NC1CCC(O)CC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCCC1.[C-]#[N+]c1cnn2cccc2c1NCC1CCCO1.[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1
InChIInChI=1S/C21H25ClN6O2.C15H18N4.C14H18N4O2.C14H16N4O.C14H18N4O.C14H12N4O.C14H16N4.C14H10N4.C13H16N4O2.C13H14N4O.C13H16N4O.C13H14N4/c1-28(30)11-9-26(10-12-28)19(15-5-2-3-6-17(15)22)14-24-20-16(21(23)29)13-25-27-8-4-7-18(20)27;1-16-13-11-17-19-10-6-9-14(19)15(13)18-12-7-4-2-3-5-8-12;15-14(20)11-8-16-18-7-1-2-12(18)13(11)17-9-3-5-10(19)6-4-9;1-15-12-9-16-18-8-2-3-13(18)14(12)17-10-4-6-11(19)7-5-10;2*15-14(19)11-9-16-18-8-4-7-12(18)13(11)17-10-5-2-1-3-6-10;2*1-15-12-10-16-18-9-5-8-13(18)14(12)17-11-6-3-2-4-7-11;14-13(18)10-8-16-17-5-1-4-11(17)12(10)15-7-9-3-2-6-19-9;1-14-11-9-16-17-6-2-5-12(17)13(11)15-8-10-4-3-7-18-10;14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9;1-14-11-9-15-17-8-4-7-12(17)13(11)16-10-5-2-3-6-10/h2-8,13,19,30H,9-12,14H2,1H3,(H2-,23,24,25,29);6,9-12,18H,2-5,7-8H2;1-2,7-10,17,19H,3-6H2,(H2,15,20);2-3,8-11,17,19H,4-7H2;4,7-10,17H,1-3,5-6H2,(H2,15,19);1-9,17H,(H2,15,19);5,8-11,17H,2-4,6-7H2;2-10,17H;1,4-5,8-9,15H,2-3,6-7H2,(H2,14,18);2,5-6,9-10,15H,3-4,7-8H2;3,6-9,16H,1-2,4-5H2,(H2,14,18);4,7-10,16H,2-3,5-6H2/p+1
InChIKeyVYCVACVSHMTZBH-UHFFFAOYSA-O
MW3173.24 g/mol
LogP30.30
Rot. Bonds35

About 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide

4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 161431855) has the molecular formula C172H194ClN50O11+ and a molecular weight of 3173.24 g/mol. Its IUPAC name is 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID161431855
Molecular FormulaC172H194ClN50O11+
Molecular Weight3173.24 g/mol
Exact Mass3170.58
IUPAC Name4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESC[N+]1(O)CCN(C(CNc2c(C(N)=O)cnn3cccc23)c2ccccc2Cl)CC1.NC(=O)c1cnn2cccc2c1NC1CCC(O)CC1.NC(=O)c1cnn2cccc2c1NC1CCCC1.NC(=O)c1cnn2cccc2c1NC1CCCCC1.NC(=O)c1cnn2cccc2c1NCC1CCCO1.NC(=O)c1cnn2cccc2c1Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1NC1CCC(O)CC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCCC1.[C-]#[N+]c1cnn2cccc2c1NCC1CCCO1.[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1
InChIInChI=1S/C21H25ClN6O2.C15H18N4.C14H18N4O2.C14H16N4O.C14H18N4O.C14H12N4O.C14H16N4.C14H10N4.C13H16N4O2.C13H14N4O.C13H16N4O.C13H14N4/c1-28(30)11-9-26(10-12-28)19(15-5-2-3-6-17(15)22)14-24-20-16(21(23)29)13-25-27-8-4-7-18(20)27;1-16-13-11-17-19-10-6-9-14(19)15(13)18-12-7-4-2-3-5-8-12;15-14(20)11-8-16-18-7-1-2-12(18)13(11)17-9-3-5-10(19)6-4-9;1-15-12-9-16-18-8-2-3-13(18)14(12)17-10-4-6-11(19)7-5-10;2*15-14(19)11-9-16-18-8-4-7-12(18)13(11)17-10-5-2-1-3-6-10;2*1-15-12-10-16-18-9-5-8-13(18)14(12)17-11-6-3-2-4-7-11;14-13(18)10-8-16-17-5-1-4-11(17)12(10)15-7-9-3-2-6-19-9;1-14-11-9-16-17-6-2-5-12(17)13(11)15-8-10-4-3-7-18-10;14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9;1-14-11-9-15-17-8-4-7-12(17)13(11)16-10-5-2-3-6-10/h2-8,13,19,30H,9-12,14H2,1H3,(H2-,23,24,25,29);6,9-12,18H,2-5,7-8H2;1-2,7-10,17,19H,3-6H2,(H2,15,20);2-3,8-11,17,19H,4-7H2;4,7-10,17H,1-3,5-6H2,(H2,15,19);1-9,17H,(H2,15,19);5,8-11,17H,2-4,6-7H2;2-10,17H;1,4-5,8-9,15H,2-3,6-7H2,(H2,14,18);2,5-6,9-10,15H,3-4,7-8H2;3,6-9,16H,1-2,4-5H2,(H2,14,18);4,7-10,16H,2-3,5-6H2/p+1
InChIKeyVYCVACVSHMTZBH-UHFFFAOYSA-O
XLogP30.30
TPSA719.05 Ų
H-Bond Donors21
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003173.24
LogP ≤ 530.30
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 161431855) is 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is C[N+]1(O)CCN(C(CNc2c(C(N)=O)cnn3cccc23)c2ccccc2Cl)CC1.NC(=O)c1cnn2cccc2c1NC1CCC(O)CC1.NC(=O)c1cnn2cccc2c1NC1CCCC1.NC(=O)c1cnn2cccc2c1NC1CCCCC1.NC(=O)c1cnn2cccc2c1NCC1CCCO1.NC(=O)c1cnn2cccc2c1Nc1ccccc1.[C-]#[N+]c1cnn2cccc2c1NC1CCC(O)CC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCC1.[C-]#[N+]c1cnn2cccc2c1NC1CCCCCC1.[C-]#[N+]c1cnn2cccc2c1NCC1CCCO1.[C-]#[N+]c1cnn2cccc2c1Nc1ccccc1.
What is the InChIKey of 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VYCVACVSHMTZBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25ClN6O2.C15H18N4.C14H18N4O2.C14H16N4O.C14H18N4O.C14H12N4O.C14H16N4.C14H10N4.C13H16N4O2.C13H14N4O.C13H16N4O.C13H14N4/c1-28(30)11-9-26(10-12-28)19(15-5-2-3-6-17(15)22)14-24-20-16(21(23)29)13-25-27-8-4-7-18(20)27;1-16-13-11-17-19-10-6-9-14(19)15(13)18-12-7-4-2-3-5-8-12;15-14(20)11-8-16-18-7-1-2-12(18)13(11)17-9-3-5-10(19)6-4-9;1-15-12-9-16-18-8-2-3-13(18)14(12)17-10-4-6-11(19)7-5-10;2*15-14(19)11-9-16-18-8-4-7-12(18)13(11)17-10-5-2-1-3-6-10;2*1-15-12-10-16-18-9-5-8-13(18)14(12)17-11-6-3-2-4-7-11;14-13(18)10-8-16-17-5-1-4-11(17)12(10)15-7-9-3-2-6-19-9;1-14-11-9-16-17-6-2-5-12(17)13(11)15-8-10-4-3-7-18-10;14-13(18)10-8-15-17-7-3-6-11(17)12(10)16-9-4-1-2-5-9;1-14-11-9-15-17-8-4-7-12(17)13(11)16-10-5-2-3-6-10/h2-8,13,19,30H,9-12,14H2,1H3,(H2-,23,24,25,29);6,9-12,18H,2-5,7-8H2;1-2,7-10,17,19H,3-6H2,(H2,15,20);2-3,8-11,17,19H,4-7H2;4,7-10,17H,1-3,5-6H2,(H2,15,19);1-9,17H,(H2,15,19);5,8-11,17H,2-4,6-7H2;2-10,17H;1,4-5,8-9,15H,2-3,6-7H2,(H2,14,18);2,5-6,9-10,15H,3-4,7-8H2;3,6-9,16H,1-2,4-5H2,(H2,14,18);4,7-10,16H,2-3,5-6H2/p+1.
What are the key properties of 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide?
4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 3173.24 g/mol, XLogP of 30.30, 35 rotatable bonds, 21 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinopyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[2-(2-chlorophenyl)-2-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)ethyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cycloheptyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclohexylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclohexyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-(cyclopentylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide;N-cyclopentyl-3-isocyanopyrrolo[1,2-b]pyridazin-4-amine;4-[(4-hydroxycyclohexyl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;3-isocyano-N-(oxolan-2-ylmethyl)pyrrolo[1,2-b]pyridazin-4-amine;3-isocyano-N-phenylpyrrolo[1,2-b]pyridazin-4-amine;4-[(3-isocyanopyrrolo[1,2-b]pyridazin-4-yl)amino]cyclohexan-1-ol;4-(oxolan-2-ylmethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 161431855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).