2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one

C48H59ClF2N12O2 — CID 159892102

IUPAC2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one
SMILESCC(C)CC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1
InChIInChI=1S/C23H28FN7O.C14H10ClFN4.C11H21NO/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32);1,4-7,10H,2-3H2;10H,3-9H2,1-2H3
InChIKeyNUWPKIIPQJRXOL-UHFFFAOYSA-N
MW909.53 g/mol
LogP8.32
Rot. Bonds12

About 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one

2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one (PubChem CID 159892102) has the molecular formula C48H59ClF2N12O2 and a molecular weight of 909.53 g/mol. Its IUPAC name is 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one.

Molecular Properties

Compound Name2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one
PubChem CID159892102
Molecular FormulaC48H59ClF2N12O2
Molecular Weight909.53 g/mol
Exact Mass908.45
IUPAC Name2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one
SMILESCC(C)CC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1
InChIInChI=1S/C23H28FN7O.C14H10ClFN4.C11H21NO/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32);1,4-7,10H,2-3H2;10H,3-9H2,1-2H3
InChIKeyNUWPKIIPQJRXOL-UHFFFAOYSA-N
XLogP8.32
TPSA143.09 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500909.53
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one?
The IUPAC name of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one (CID 159892102) is 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one.
What is the SMILES notation for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one?
The canonical SMILES for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one is CC(C)CC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCN(c2cc(-c3nc4ccc(F)cc4n3C3CC3)cnn2)CC1.Fc1ccc2nc(-c3cnnc(Cl)c3)n(C3CC3)c2c1.
What is the InChIKey of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one?
The InChIKey is NUWPKIIPQJRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O.C14H10ClFN4.C11H21NO/c1-15(2)26-22(32)14-29-7-9-30(10-8-29)21-11-16(13-25-28-21)23-27-19-6-3-17(24)12-20(19)31(23)18-4-5-18;15-13-5-8(7-17-19-13)14-18-11-4-1-9(16)6-12(11)20(14)10-2-3-10;1-10(2)8-11(13)9-12-6-4-3-5-7-12/h3,6,11-13,15,18H,4-5,7-10,14H2,1-2H3,(H,26,32);1,4-7,10H,2-3H2;10H,3-9H2,1-2H3.
What are the key properties of 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one?
2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one has a molecular weight of 909.53 g/mol, XLogP of 8.32, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-4-yl)-1-cyclopropyl-6-fluorobenzimidazole;2-[4-[5-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]-N-propan-2-ylacetamide;4-methyl-1-piperidin-1-ylpentan-2-one is sourced from PubChem (CID 159892102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).