N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C26H24FN9O2 — CID 118643521

IUPACN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCc4nn[nH]n4)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H24FN9O2/c1-15-11-16(5-8-20(15)26(37)30-18-6-7-18)22-14-29-25-21(28-10-9-23-31-34-35-32-23)13-24(33-36(22)25)38-19-4-2-3-17(27)12-19/h2-5,8,11-14,18,28H,6-7,9-10H2,1H3,(H,30,37)(H,31,32,34,35)
InChIKeyMWEZIXUMOHLIPE-UHFFFAOYSA-N
MW513.54 g/mol
LogP3.70
Rot. Bonds9

About N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 118643521) has the molecular formula C26H24FN9O2 and a molecular weight of 513.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID118643521
Molecular FormulaC26H24FN9O2
Molecular Weight513.54 g/mol
Exact Mass513.20
IUPAC NameN-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCc4nn[nH]n4)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C26H24FN9O2/c1-15-11-16(5-8-20(15)26(37)30-18-6-7-18)22-14-29-25-21(28-10-9-23-31-34-35-32-23)13-24(33-36(22)25)38-19-4-2-3-17(27)12-19/h2-5,8,11-14,18,28H,6-7,9-10H2,1H3,(H,30,37)(H,31,32,34,35)
InChIKeyMWEZIXUMOHLIPE-UHFFFAOYSA-N
XLogP3.70
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.54
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 118643521) is N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCc4nn[nH]n4)cc(Oc4cccc(F)c4)nn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is MWEZIXUMOHLIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN9O2/c1-15-11-16(5-8-20(15)26(37)30-18-6-7-18)22-14-29-25-21(28-10-9-23-31-34-35-32-23)13-24(33-36(22)25)38-19-4-2-3-17(27)12-19/h2-5,8,11-14,18,28H,6-7,9-10H2,1H3,(H,30,37)(H,31,32,34,35).
What are the key properties of N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 513.54 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(3-fluorophenoxy)-8-[2-(2H-tetrazol-5-yl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 118643521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).