2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone

C34H37FN8O2 — CID 158292533

IUPAC2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
SMILESCCCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(CC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)CC1
InChIInChI=1S/C34H37FN8O2/c1-2-13-40-14-10-28(11-15-40)42-23-37-33(24-3-5-26(35)6-4-24)34(42)29-7-8-31-38-27(22-43(31)39-29)21-30(44)25-9-12-36-32(20-25)41-16-18-45-19-17-41/h3-9,12,20,22-23,28H,2,10-11,13-19,21H2,1H3
InChIKeyGLNMOHJYYYYBSM-UHFFFAOYSA-N
MW608.72 g/mol
LogP5.10
Rot. Bonds9

About 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone

2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (PubChem CID 158292533) has the molecular formula C34H37FN8O2 and a molecular weight of 608.72 g/mol. Its IUPAC name is 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
PubChem CID158292533
Molecular FormulaC34H37FN8O2
Molecular Weight608.72 g/mol
Exact Mass608.30
IUPAC Name2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
SMILESCCCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(CC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)CC1
InChIInChI=1S/C34H37FN8O2/c1-2-13-40-14-10-28(11-15-40)42-23-37-33(24-3-5-26(35)6-4-24)34(42)29-7-8-31-38-27(22-43(31)39-29)21-30(44)25-9-12-36-32(20-25)41-16-18-45-19-17-41/h3-9,12,20,22-23,28H,2,10-11,13-19,21H2,1H3
InChIKeyGLNMOHJYYYYBSM-UHFFFAOYSA-N
XLogP5.10
TPSA93.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone with MolForge

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Related Compounds

GSK-3|A inhibitor 13
CID 134551592
Vabametkib
CID 73504719
1-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-pyridinyl]piperidin-4-ol
CID 58335500
US10774086, Example 17
CID 134551553
US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 18
CID 134551945
US10774086, Example 26
CID 139465943
N-[6-[5-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 75593277
2,6-difluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(3,3,3-trifluoropropanoyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 75593328
N-(6-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 76282323
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-((1-methyl-1H-imidazol-2-yl)methyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazol[1,2-b]pyridazin-2-yl)isonicotinamide
CID 76282324

Frequently Asked Questions

What is the IUPAC name of 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The IUPAC name of 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone (CID 158292533) is 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The canonical SMILES for 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone is CCCN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccc3nc(CC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)CC1.
What is the InChIKey of 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
The InChIKey is GLNMOHJYYYYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN8O2/c1-2-13-40-14-10-28(11-15-40)42-23-37-33(24-3-5-26(35)6-4-24)34(42)29-7-8-31-38-27(22-43(31)39-29)21-30(44)25-9-12-36-32(20-25)41-16-18-45-19-17-41/h3-9,12,20,22-23,28H,2,10-11,13-19,21H2,1H3.
What are the key properties of 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone?
2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone has a molecular weight of 608.72 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[5-(4-fluorophenyl)-3-(1-propylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone is sourced from PubChem (CID 158292533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).