N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

C34H37FN6O2 — CID 171473998

IUPACN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCc1cnn2c(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)CC45CC(F)(C4)C5)c3)cnc2c1
InChIInChI=1S/C34H37FN6O2/c1-22-13-27-36-17-26(41(27)37-16-22)24-3-2-4-25(14-24)40(28(42)15-32-18-34(35,19-32)20-32)21-31-7-10-33(11-8-31,12-9-31)30-38-29(39-43-30)23-5-6-23/h2-4,13-14,16-17,23H,5-12,15,18-21H2,1H3
InChIKeyTTWOTYRKJARNAP-UHFFFAOYSA-N
MW580.71 g/mol
LogP6.87
Rot. Bonds8

About N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide

N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (PubChem CID 171473998) has the molecular formula C34H37FN6O2 and a molecular weight of 580.71 g/mol. Its IUPAC name is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
PubChem CID171473998
Molecular FormulaC34H37FN6O2
Molecular Weight580.71 g/mol
Exact Mass580.30
IUPAC NameN-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide
SMILESCc1cnn2c(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)CC45CC(F)(C4)C5)c3)cnc2c1
InChIInChI=1S/C34H37FN6O2/c1-22-13-27-36-17-26(41(27)37-16-22)24-3-2-4-25(14-24)40(28(42)15-32-18-34(35,19-32)20-32)21-31-7-10-33(11-8-31,12-9-31)30-38-29(39-43-30)23-5-6-23/h2-4,13-14,16-17,23H,5-12,15,18-21H2,1H3
InChIKeyTTWOTYRKJARNAP-UHFFFAOYSA-N
XLogP6.87
TPSA89.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide (CID 171473998) is N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is Cc1cnn2c(-c3cccc(N(CC45CCC(c6nc(C7CC7)no6)(CC4)CC5)C(=O)CC45CC(F)(C4)C5)c3)cnc2c1.
What is the InChIKey of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
The InChIKey is TTWOTYRKJARNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37FN6O2/c1-22-13-27-36-17-26(41(27)37-16-22)24-3-2-4-25(14-24)40(28(42)15-32-18-34(35,19-32)20-32)21-31-7-10-33(11-8-31,12-9-31)30-38-29(39-43-30)23-5-6-23/h2-4,13-14,16-17,23H,5-12,15,18-21H2,1H3.
What are the key properties of N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide?
N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide has a molecular weight of 580.71 g/mol, XLogP of 6.87, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-bicyclo[2.2.2]octanyl]methyl]-2-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-N-[3-(7-methylimidazo[1,2-b]pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 171473998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).