4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one

C125H107ClF4N30O7 — CID 165053047

IUPAC4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCn1cc2cc(-n3nc4c(C#N)cn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F2N6O2.C26H24N6O.C25H21F2N5O2.C25H23N7O.C23H19ClN6O/c1-32-13-17-10-19(6-9-21(17)30-32)34-25(35)22(16-4-7-20(8-5-16)36-26(27)28)24-23(31-34)18(11-29)14-33(24)12-15-2-3-15;1-30-15-19-12-20(7-9-22(19)28-30)32-26(33)24(18-6-8-21(27-13-18)17-4-5-17)25-23(29-32)10-11-31(25)14-16-2-3-16;1-30-14-17-12-18(6-9-20(17)28-30)32-24(33)22(16-4-7-19(8-5-16)34-25(26)27)23-21(29-32)10-11-31(23)13-15-2-3-15;1-30-13-18-10-19(7-9-21(18)28-30)32-25(33)22(17-6-8-20(26-11-17)16-4-5-16)23-24(29-32)27-14-31(23)12-15-2-3-15;1-28-12-16-10-18(8-9-19(16)26-28)30-23(31)20(15-4-6-17(24)7-5-15)21-22(27-30)25-13-29(21)11-14-2-3-14/h4-10,13-15,26H,2-3,12H2,1H3;6-13,15-17H,2-5,14H2,1H3;4-12,14-15,25H,2-3,13H2,1H3;6-11,13-16H,2-5,12H2,1H3;4-10,12-14H,2-3,11H2,1H3
InChIKeyPYYNXTCUZWDECX-UHFFFAOYSA-N
MW2252.88 g/mol
LogP21.82
Rot. Bonds26

About 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one

4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one (PubChem CID 165053047) has the molecular formula C125H107ClF4N30O7 and a molecular weight of 2252.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
PubChem CID165053047
Molecular FormulaC125H107ClF4N30O7
Molecular Weight2252.88 g/mol
Exact Mass2250.86
IUPAC Name4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one
SMILESCn1cc2cc(-n3nc4c(C#N)cn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(Cl)cc4)c3=O)ccc2n1
InChIInChI=1S/C26H20F2N6O2.C26H24N6O.C25H21F2N5O2.C25H23N7O.C23H19ClN6O/c1-32-13-17-10-19(6-9-21(17)30-32)34-25(35)22(16-4-7-20(8-5-16)36-26(27)28)24-23(31-34)18(11-29)14-33(24)12-15-2-3-15;1-30-15-19-12-20(7-9-22(19)28-30)32-26(33)24(18-6-8-21(27-13-18)17-4-5-17)25-23(29-32)10-11-31(25)14-16-2-3-16;1-30-14-17-12-18(6-9-20(17)28-30)32-24(33)22(16-4-7-19(8-5-16)34-25(26)27)23-21(29-32)10-11-31(23)13-15-2-3-15;1-30-13-18-10-19(7-9-21(18)28-30)32-25(33)22(17-6-8-20(26-11-17)16-4-5-16)23-24(29-32)27-14-31(23)12-15-2-3-15;1-28-12-16-10-18(8-9-19(16)26-28)30-23(31)20(15-4-6-17(24)7-5-15)21-22(27-30)25-13-29(21)11-14-2-3-14/h4-10,13-15,26H,2-3,12H2,1H3;6-13,15-17H,2-5,14H2,1H3;4-12,14-15,25H,2-3,13H2,1H3;6-11,13-16H,2-5,12H2,1H3;4-10,12-14H,2-3,11H2,1H3
InChIKeyPYYNXTCUZWDECX-UHFFFAOYSA-N
XLogP21.82
TPSA382.01 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002252.88
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The IUPAC name of 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one (CID 165053047) is 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The canonical SMILES for 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one is Cn1cc2cc(-n3nc4c(C#N)cn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ccn(CC5CC5)c4c(-c4ccc(OC(F)F)cc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(C5CC5)nc4)c3=O)ccc2n1.Cn1cc2cc(-n3nc4ncn(CC5CC5)c4c(-c4ccc(Cl)cc4)c3=O)ccc2n1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
The InChIKey is PYYNXTCUZWDECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O2.C26H24N6O.C25H21F2N5O2.C25H23N7O.C23H19ClN6O/c1-32-13-17-10-19(6-9-21(17)30-32)34-25(35)22(16-4-7-20(8-5-16)36-26(27)28)24-23(31-34)18(11-29)14-33(24)12-15-2-3-15;1-30-15-19-12-20(7-9-22(19)28-30)32-26(33)24(18-6-8-21(27-13-18)17-4-5-17)25-23(29-32)10-11-31(25)14-16-2-3-16;1-30-14-17-12-18(6-9-20(17)28-30)32-24(33)22(16-4-7-19(8-5-16)34-25(26)27)23-21(29-32)10-11-31(23)13-15-2-3-15;1-30-13-18-10-19(7-9-21(18)28-30)32-25(33)22(17-6-8-20(26-11-17)16-4-5-16)23-24(29-32)27-14-31(23)12-15-2-3-15;1-28-12-16-10-18(8-9-19(16)26-28)30-23(31)20(15-4-6-17(24)7-5-15)21-22(27-30)25-13-29(21)11-14-2-3-14/h4-10,13-15,26H,2-3,12H2,1H3;6-13,15-17H,2-5,14H2,1H3;4-12,14-15,25H,2-3,13H2,1H3;6-11,13-16H,2-5,12H2,1H3;4-10,12-14H,2-3,11H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one?
4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one has a molecular weight of 2252.88 g/mol, XLogP of 21.82, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(cyclopropylmethyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)imidazo[4,5-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-(6-cyclopropyl-3-pyridinyl)-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)-3-oxopyrrolo[3,2-c]pyridazine-7-carbonitrile;5-(cyclopropylmethyl)-4-[4-(difluoromethoxy)phenyl]-2-(2-methylindazol-5-yl)pyrrolo[3,2-c]pyridazin-3-one is sourced from PubChem (CID 165053047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).