cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane

C53H66N10O4 — CID 159153627

IUPACcyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane
SMILESC.CCN1CCOC(c2ccc(-c3cc4c(N5CCN(C(=O)C6CC6)CC5)ccnn4c3)cc2)C1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(C5CNCCO5)cc4)cc23)CC1
InChIInChI=1S/C27H33N5O2.C25H29N5O2.CH4/c1-2-29-15-16-34-26(19-29)21-5-3-20(4-6-21)23-17-25-24(9-10-28-32(25)18-23)30-11-13-31(14-12-30)27(33)22-7-8-22;31-25(20-5-6-20)29-12-10-28(11-13-29)22-7-8-27-30-17-21(15-23(22)30)18-1-3-19(4-2-18)24-16-26-9-14-32-24;/h3-6,9-10,17-18,22,26H,2,7-8,11-16,19H2,1H3;1-4,7-8,15,17,20,24,26H,5-6,9-14,16H2;1H4
InChIKeyKJPQEHZOIFPZIZ-UHFFFAOYSA-N
MW907.18 g/mol
LogP6.81
Rot. Bonds9

About cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane

cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane (PubChem CID 159153627) has the molecular formula C53H66N10O4 and a molecular weight of 907.18 g/mol. Its IUPAC name is cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane.

Molecular Properties

Compound Namecyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane
PubChem CID159153627
Molecular FormulaC53H66N10O4
Molecular Weight907.18 g/mol
Exact Mass906.53
IUPAC Namecyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane
SMILESC.CCN1CCOC(c2ccc(-c3cc4c(N5CCN(C(=O)C6CC6)CC5)ccnn4c3)cc2)C1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(C5CNCCO5)cc4)cc23)CC1
InChIInChI=1S/C27H33N5O2.C25H29N5O2.CH4/c1-2-29-15-16-34-26(19-29)21-5-3-20(4-6-21)23-17-25-24(9-10-28-32(25)18-23)30-11-13-31(14-12-30)27(33)22-7-8-22;31-25(20-5-6-20)29-12-10-28(11-13-29)22-7-8-27-30-17-21(15-23(22)30)18-1-3-19(4-2-18)24-16-26-9-14-32-24;/h3-6,9-10,17-18,22,26H,2,7-8,11-16,19H2,1H3;1-4,7-8,15,17,20,24,26H,5-6,9-14,16H2;1H4
InChIKeyKJPQEHZOIFPZIZ-UHFFFAOYSA-N
XLogP6.81
TPSA115.43 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.18
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane?
The IUPAC name of cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane (CID 159153627) is cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane.
What is the SMILES notation for cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane?
The canonical SMILES for cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane is C.CCN1CCOC(c2ccc(-c3cc4c(N5CCN(C(=O)C6CC6)CC5)ccnn4c3)cc2)C1.O=C(C1CC1)N1CCN(c2ccnn3cc(-c4ccc(C5CNCCO5)cc4)cc23)CC1.
What is the InChIKey of cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane?
The InChIKey is KJPQEHZOIFPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2.C25H29N5O2.CH4/c1-2-29-15-16-34-26(19-29)21-5-3-20(4-6-21)23-17-25-24(9-10-28-32(25)18-23)30-11-13-31(14-12-30)27(33)22-7-8-22;31-25(20-5-6-20)29-12-10-28(11-13-29)22-7-8-27-30-17-21(15-23(22)30)18-1-3-19(4-2-18)24-16-26-9-14-32-24;/h3-6,9-10,17-18,22,26H,2,7-8,11-16,19H2,1H3;1-4,7-8,15,17,20,24,26H,5-6,9-14,16H2;1H4.
What are the key properties of cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane?
cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane has a molecular weight of 907.18 g/mol, XLogP of 6.81, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[6-[4-(4-ethylmorpholin-2-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;cyclopropyl-[4-[6-(4-morpholin-2-ylphenyl)pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone;methane is sourced from PubChem (CID 159153627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).